A0A5K4F4J2_SCHMA Loading...

Fibronectin type-III domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F4J2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,754 aa.

>A0A5K4F4J2_SCHMA|A0A5K4F4J2
MVDQRNPGNMSYECQMEKTLQKLHDVIQLRQKLLLERATLKSQLDKLLRRSVNDVDLIGGDDDDDDDDDDNDGGDGDSGSGGVGAGKTQLDNCQLHETEDSKSKDTVKQIRSKIKELEKRCALQLLKHEEILLEIEDVRKRSFNHSNTNHNHNNNSSIITTINTIKNQLNDIDSINQLSSSTSCLINNQNQNQNNQNNKVYGRLLQSGQQQQQHQHKLKHDDIQSTYEMDSLLFDSSAMGIIELDKQMTTTTNNNKQVKGRLFRSNTDLQITEGDDPNLVELFQVIEESRKSTDVPAPRMITLERQLFQSVLISWKSPELNENKIVSAYHIYVDGQFRLAVMAKEKTRALIDNVDADKPHRISIRSISSHGQSKDAQCTLVVGRGMTATPARLKATQIGTKSAKLSWIPGNSNYYHRVYLNETSLHVCKPGVYKLHLTDLPPDTLHQVCVQALPSPISIQESAQQSPPWINTACSGVYTQKLAAFIEFRTLPIGLPDPPSHVQIEAGPQDGMLLITWLPVPQDKNAVEAVTAAGASSTLPVQGYTVCLNGQAIMELKGASRDHAILKLSTIKDHIQKLLHNSTQSPTDIYDHNTGHLSNPNHSSKSSTTYHSMIELYITVHSTIPTELSSKQEINISKECTLIKGSEGPASKPIHLTASLLILAAGSLETAYKIFGLNLATKLGINENTAKLAGVSLSLDGLQETTTRENNQNVENINSDGDHGLLVVSAENVVRKPSPTADALGSAEALLLRRKLEKQELKDNDNDDHDHNPITEISNYSHTIKPKNNLYQSIWDTSHTQKSPINRYYQYQKSHYPRNNQESKYKLRQARSISDDYELNLRYGPSKDVYYSDEASLNSSASSESSTAPDNNRWFRTSSSYNLTADYPNRRWKPRGVIRSNIDRGYPHEYHESFTIGRLNRREGIRRRHLHHLYDSKMYPLYKSQHFYNLPNHPQSFKSHTYSGRISPENKPTSLFKHSSRRLLDQYPYNQHRKHEILPLSSSSNEERYPDSMLNNRNYFSQTDNFNKIPLPETCLVNTRSRSTSPKRIHKLSGLSHPFRNTEMEYNIGNVPIHRTPKHYRPLPIGIENRRWPIRERYYFGHRNPHENLSLPEIQITRNSSLSDNEPQFQANDQYQQQSRYSYQDFRGPTRPIRSRFMDTRRHGSYDPQMNTANFSTTRHDPDYSRPVVPSDSYTPGPKRPFHFNMPSPASGPMPQHEYRPPFNQVNIKSCRSGDQGSGLRQSVVSQYSRPSKSFIQNEQQYGRNQRNINDDYSSRISHNELKPIQVVVALYDYDPTTMSPNIDGAQEELPFREGQLIKILTECDEDGFYLGECNGLRGLVPSNMVSELQSHSLRSQKINHSIDSHSNLIDNNYLSSDQLNKVRSTDMNSPIQNYYYTTRKYDSFISQSNTTPRNTDFIDEQVYQQQQQQQQQQQQQMTIPDYSDIKELHNNELDQERYSQSQAKYTTEIIPNTINQTSNKSMESVQPQQPQPQQQQSNQQSKIMIAIYDYDPHVLSPNADIDAELSFRAGEQITVYGNMDDDGFYYGETKDGRRGLVPSNFLHSCTNDTNYLNKQKNSSTISTQLSSTNISINHRDQSYSMDPNSSSVRMQSRMNSSQFHNVRNNKSEPNSDRTKLMHNNTRPNSPCTQTRLYTTNNSNEVINTNINSTAYHRDELTMNGMERFPENEENPIIVMDLNPISNNSHRKGNSTKDYDTPYIHQHDTDISDNYVASTGPSYNQRRRSTIRSLFKRE
Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M30Very low39.5Very low236 Ų236141.2 Ų141.2100%1.16376%0.762SS**  0134.40-75.7153.458.400107
2V31.9Very low42Very low133 Ų133134.9 Ų134.981%0.80672%0.721SS**  trans19.4102.3163.5-167.80000114.8
3D31.2Very low44.1Very low145 Ų145132.3 Ų132.378%0.77570%0.701SS**  -145.7131.460.7-91.3-49.4000115.3
4Q31.6Very low46.1Very low194 Ų194125.8 Ų125.891%0.90767%0.671SS**  trans-154.867.7165.5-76.3-167.4-1800110.9
5R30.3Very low48Very low236 Ų236121.9 Ų121.989%0.89165%0.647SS**  trans-145.752.5176.5-69.9-165.5-179.81781.5115.4
6N36.1Very low50Low120 Ų120114.4 Ų114.464%0.64261%0.608SS**  trans176.5122.1143.9-99.2-23.1000111.1G8 N9N6-G8 VanDerWaalsContact C-N 3.25Å; N6-G8 PolarHBondContact O-N 2.68Å; N6-N9 HydrophobicContact CB-CB 4.02Å; N6-N9 PolarHBondContact O-N 3.04Å
7P41.2Very low51.7Low128 Ų128115.6 Ų115.683%0.83161%0.609SS**G310 helixtrans-69.3-25.3171.928.7-33.7000112.4N9P7-N9 PolarHBondContact O-N 3.02Å
8G40.2Very low53.5Low73 Ų73115.3 Ų115.375%0.75360%0.602SS**G310 helixtrans-78.59.4177.600000115.6N6N6-G8 VanDerWaalsContact C-N 3.25Å; N6-G8 PolarHBondContact O-N 2.68Å
9N40.4Very low55.1Low136 Ų136109.4 Ų109.473%0.72757%0.571SS**G310 helixtrans-141.433.8-173.6-138.236.1000113.9N6 P7N6-N9 HydrophobicContact CB-CB 4.02Å; N6-N9 PolarHBondContact O-N 3.04Å; P7-N9 PolarHBondContact O-N 3.02Å
10M56.2Low56.5Low82 Ų82105.1 Ų105.140%0.40455%0.548SS..  trans-68.6138.1165.2-67.7-149-50.400110.2Q15 K18M10-Q15 HydrophobicContact CE-CB 4.25Å; M10-K18 HydrophobicContact CE-CD 4.14Å; M10-K18 PolarHBondContact SD-NZ 2.68Å
11S65.7Low57.9Low70 Ų70104.9 Ų104.949%0.4955%0.545SS..  trans-58.2140.4169.7176.40000110.7E13 C14 Q15S11-E13 PolarHBondContact O-N 2.99Å; S11-E13 VanDerWaalsContact O-N 3.12Å; S11-E13 PolarHBondContact OG-N 2.62Å; S11-C14 PolarHBondContact O-N 3.17Å; S11-Q15 PolarHBondContact O-N 3.17Å
12Y69.8Low60.7Low66 Ų6697.9 Ų97.926%0.25951%0.508SS..Hα-helixtrans-46.3-39169.3162.7-103000112.1Q15 M16 V138 S142 I158Y12-Q15 PolarHBondContact O-N 3.36Å; Y12-M16 HydrophobicContact CE2-CE 3.82Å; Y12-M16 VanDerWaalsContact O-CB 3.28Å; Y12-M16 WeakPolarHBondContact O-CB 3.31Å; Y12-M16 PolarHBondContact O-N 3.39Å; Y12-V138 HydrophobicContact CD2-CG1 3.68Å; Y12-V138 HydrophobicContact CE2-CG1 3.75Å; Y12-V138 WeakPolarHBondContact CE2-O 3.47Å; Y12-S142 VanDerWaalsContact CE2-OG 3.28Å; Y12-S142 WeakPolarHBondContact CE2-OG 3.49Å; Y12-I158 HydrophobicContact CE1-CD1 4.23Å
13E68.4Low63.4Low101 Ų10191.8 Ų91.847%0.47247%0.471SS..Hα-helixtrans-63.4-44.3179.2-163.7161.9-138.400111.7S11 M16 E17S11-E13 PolarHBondContact O-N 2.99Å; S11-E13 VanDerWaalsContact O-N 3.12Å; S11-E13 PolarHBondContact OG-N 2.62Å; E13-M16 PolarHBondContact O-N 2.88Å; E13-E17 VanDerWaalsContact O-CB 3.32Å; E13-E17 WeakPolarHBondContact O-CB 3.33Å; E13-E17 PolarHBondContact O-N 3.24Å
14C72Confident65.9Low41 Ų4187.8 Ų87.828%0.27745%0.447SS..Hα-helixtrans-72.1-31.4176.6-175.40000112.6S11 K18S11-C14 PolarHBondContact O-N 3.17Å; C14-K18 WeakPolarHBondContact O-CG 3.39Å; C14-K18 PolarHBondContact O-N 3.49Å
15Q74.6Confident68.5Low67 Ų6782.5 Ų82.531%0.31343%0.425SS..Hα-helixtrans-70.4-42.5173.5-169.9168.56.400111.4M10 S11 Y12 K18 T19 V138M10-Q15 HydrophobicContact CE-CB 4.25Å; S11-Q15 PolarHBondContact O-N 3.17Å; Y12-Q15 PolarHBondContact O-N 3.36Å; Q15-K18 PolarHBondContact O-N 3.12Å; Q15-T19 PolarHBondContact O-N 3.12Å; Q15-T19 VanDerWaalsContact O-N 3.1Å; Q15-T19 PolarHBondContact O-OG1 2.82Å; Q15-V138 HydrophobicContact CB-CG1 4.39Å; Q15-V138 HydrophobicContact CG-CG1 4.21Å; Q15-V138 HydrophobicContact CG-CG2 3.98Å
16M81.4Confident71.3Confident3 Ų372 Ų722%0.01539%0.388CS..Hα-helixtrans-65.4-41175.7-174.962.371.700112.3Y12 E13 K18 T19 L20 I135 V138 R139 I158Y12-M16 HydrophobicContact CE2-CE 3.82Å; Y12-M16 VanDerWaalsContact O-CB 3.28Å; Y12-M16 WeakPolarHBondContact O-CB 3.31Å; Y12-M16 PolarHBondContact O-N 3.39Å; E13-M16 PolarHBondContact O-N 2.88Å; M16-K18 VanDerWaalsContact C-N 3.34Å; M16-K18 PolarHBondContact O-N 3.07Å; M16-T19 PolarHBondContact O-N 3.06Å; M16-T19 PolarHBondContact O-OG1 3.21Å; M16-T19 VanDerWaalsContact O-OG1 3.05Å; M16-L20 HydrophobicContact CG-CD1 3.99Å; M16-L20 HydrophobicContact CG-CG 4.46Å; M16-L20 WeakPolarHBondContact O-CB 3.06Å; M16-L20 VanDerWaalsContact O-CG 3.27Å; M16-L20 WeakPolarHBondContact O-CG 3.49Å; M16-L20 PolarHBondContact O-N 2.86Å; M16-L20 HydrophobicContact SD-CD1 4.42Å; M16-L20 HydrophobicContact SD-CG 4.4Å; M16-I135 HydrophobicContact CE-CG2 4.27Å; M16-I135 HydrophobicContact SD-CB 4.5Å; M16-I135 HydrophobicContact SD-CG1 4.32Å; M16-I135 HydrophobicContact SD-CG2 3.91Å; M16-V138 HydrophobicContact CE-CB 4.27Å; M16-V138 HydrophobicContact CE-CG1 3.94Å; M16-R139 HydrophobicContact CE-CB 4.39Å; M16-I158 HydrophobicContact CG-CD1 4.34Å; M16-I158 HydrophobicContact CG-CG2 4.11Å; M16-I158 HydrophobicContact SD-CG2 4.42Å
17E77.9Confident73.6Confident135 Ų13566.5 Ų66.563%0.63136%0.358SS*.Hα-helixtrans-60.4-43.3175.5-174.9175.7-140.600111.5E13 L20 Q21E13-E17 VanDerWaalsContact O-CB 3.32Å; E13-E17 WeakPolarHBondContact O-CB 3.33Å; E13-E17 PolarHBondContact O-N 3.24Å; E17-L20 PolarHBondContact O-N 3.13Å; E17-Q21 PolarHBondContact O-N 3.06Å
18K83.4Confident75.7Confident110 Ų11065.4 Ų65.448%0.47834%0.342SS..Hα-helixtrans-65.2-40.3176.2-74.1172.2-178.2175.60113M10 C14 Q15 M16 Q21 K22M10-K18 HydrophobicContact CE-CD 4.14Å; M10-K18 PolarHBondContact SD-NZ 2.68Å; C14-K18 WeakPolarHBondContact O-CG 3.39Å; C14-K18 PolarHBondContact O-N 3.49Å; Q15-K18 PolarHBondContact O-N 3.12Å; M16-K18 VanDerWaalsContact C-N 3.34Å; M16-K18 PolarHBondContact O-N 3.07Å; K18-Q21 PolarHBondContact O-N 2.97Å; K18-K22 WeakPolarHBondContact O-CG 3.13Å; K18-K22 PolarHBondContact O-N 2.66Å; K18-K22 VanDerWaalsContact O-N 3.08Å
19T84.9Confident78Confident3 Ų365.5 Ų65.52%0.01832%0.324CS..Hα-helixtrans-71.8-34.1177.354.90000112.4Q15 M16 K22 L23 I131 E134 I135Q15-T19 PolarHBondContact O-N 3.12Å; Q15-T19 VanDerWaalsContact O-N 3.1Å; Q15-T19 PolarHBondContact O-OG1 2.82Å; M16-T19 PolarHBondContact O-N 3.06Å; M16-T19 PolarHBondContact O-OG1 3.21Å; M16-T19 VanDerWaalsContact O-OG1 3.05Å; T19-K22 PolarHBondContact O-N 3.26Å; T19-L23 PolarHBondContact O-N 3.36Å; T19-I131 WeakPolarHBondContact O-CG2 3.32Å; T19-E134 HydrophobicContact CG2-CG 3.85Å; T19-E134 WeakPolarHBondContact CG2-OE1 3.5Å; T19-I135 WeakPolarHBondContact OG1-CG1 3.34Å
20L83.9Confident80.4Confident22 Ų2260 Ų6012%0.11529%0.293CS..Hα-helixtrans-65-36.2170.6-71.6169.4000112.3M16 E17 L23 H24 I135 T161 I162 I165M16-L20 HydrophobicContact CG-CD1 3.99Å; M16-L20 HydrophobicContact CG-CG 4.46Å; M16-L20 WeakPolarHBondContact O-CB 3.06Å; M16-L20 VanDerWaalsContact O-CG 3.27Å; M16-L20 WeakPolarHBondContact O-CG 3.49Å; M16-L20 PolarHBondContact O-N 2.86Å; M16-L20 HydrophobicContact SD-CD1 4.42Å; M16-L20 HydrophobicContact SD-CG 4.4Å; E17-L20 PolarHBondContact O-N 3.13Å; L20-L23 WeakPolarHBondContact O-CB 3.34Å; L20-L23 PolarHBondContact O-N 3.11Å; L20-H24 PolarHBondContact O-N 3.1Å; L20-I135 HydrophobicContact CD2-CD1 4Å; L20-T161 HydrophobicContact CD1-CG2 4.19Å; L20-T161 HydrophobicContact CD2-CG2 4.45Å; L20-I162 HydrophobicContact CD2-CG1 4.12Å; L20-I165 HydrophobicContact CD2-CD1 4.07Å
21Q85.1Confident81.6Confident101 Ų10160.1 Ų60.147%0.47229%0.293SS..Hα-helixtrans-65.4-47.2172.9-17262.352.600111.8E17 K18 L23 H24 D25E17-Q21 PolarHBondContact O-N 3.06Å; K18-Q21 PolarHBondContact O-N 2.97Å; Q21-L23 PolarHBondContact O-N 2.94Å; Q21-H24 WeakPolarHBondContact O-CB 3.41Å; Q21-H24 PolarHBondContact O-N 3.47Å; Q21-D25 PolarHBondContact NE2-OD1 2.73Å; Q21-D25 VanDerWaalsContact O-CG 3.26Å; Q21-D25 PolarHBondContact O-N 2.96Å
22K88.8Confident82.8Confident90 Ų9063.8 Ų63.839%0.39130%0.3SS..Hα-helixtrans-51.5-44.2173.1-65.5-179.9-170.7179.20111.4K18 T19 D25 V26 I131 E134K18-K22 WeakPolarHBondContact O-CG 3.13Å; K18-K22 PolarHBondContact O-N 2.66Å; K18-K22 VanDerWaalsContact O-N 3.08Å; T19-K22 PolarHBondContact O-N 3.26Å; K22-D25 PolarHBondContact O-N 3.38Å; K22-V26 WeakPolarHBondContact O-CG2 3.44Å; K22-V26 PolarHBondContact O-N 2.99Å; K22-V26 VanDerWaalsContact O-N 3.1Å; K22-I131 HydrophobicContact CB-CD1 3.83Å; K22-I131 HydrophobicContact CB-CG1 4.34Å; K22-I131 HydrophobicContact CB-CG2 4.27Å; K22-E134 IonicContact NZ-OE1 3.79Å; K22-E134 PolarHBondContact NZ-OE1 3.48Å; K22-E134 IonicContact NZ-OE2 3.23Å; K22-E134 PolarHBondContact NZ-OE2 2.82Å
23L88.1Confident83.9Confident4 Ų461.2 Ų61.22%0.02129%0.291CS..Hα-helixtrans-62.9-42.5-179.3-168.267.4000111.5T19 L20 Q21 I27 H128 I131 L132 I135 I165T19-L23 PolarHBondContact O-N 3.36Å; L20-L23 WeakPolarHBondContact O-CB 3.34Å; L20-L23 PolarHBondContact O-N 3.11Å; Q21-L23 PolarHBondContact O-N 2.94Å; L23-I27 HydrophobicContact CG-CD1 4.19Å; L23-I27 WeakPolarHBondContact O-CD1 3.44Å; L23-I27 VanDerWaalsContact O-CG1 3.26Å; L23-I27 WeakPolarHBondContact O-CG1 3.36Å; L23-I27 PolarHBondContact O-N 3.22Å; L23-I27 VanDerWaalsContact O-N 3.12Å; L23-H128 VanDerWaalsContact CD1-ND1 3.26Å; L23-H128 WeakPolarHBondContact CD1-ND1 3.07Å; L23-I131 HydrophobicContact CB-CG2 3.84Å; L23-I131 HydrophobicContact CD1-CB 4.03Å; L23-I131 HydrophobicContact CD1-CG2 3.88Å; L23-I131 HydrophobicContact CG-CG2 4.43Å; L23-L132 HydrophobicContact CD1-CD2 4.34Å; L23-L132 HydrophobicContact CD1-CG 4.35Å; L23-L132 HydrophobicContact CD2-CD2 4.14Å; L23-I135 HydrophobicContact CB-CD1 4.45Å; L23-I135 HydrophobicContact CD2-CD1 3.76Å; L23-I165 HydrophobicContact CD2-CD1 4.19Å; L23-I165 HydrophobicContact CD2-CG2 3.87Å; L23-I165 HydrophobicContact CG-CG2 4.36Å
24H83.6Confident84.8Confident61 Ų6157.3 Ų57.328%0.28227%0.273SS..Hα-helixtrans-64.7-44.5177.6-168.971.5000112.2L20 Q21 V26 I27 Q28L20-H24 PolarHBondContact O-N 3.1Å; Q21-H24 WeakPolarHBondContact O-CB 3.41Å; Q21-H24 PolarHBondContact O-N 3.47Å; H24-V26 PolarHBondContact O-N 3.26Å; H24-I27 PolarHBondContact O-N 3.49Å; H24-Q28 PolarHBondContact CD2-NE2 3.41Å; H24-Q28 PolarHBondContact NE2-NE2 3.27Å; H24-Q28 PolarHBondContact O-N 3.47Å
25D87.3Confident85.5Confident83 Ų8361.2 Ų61.244%0.44429%0.291SS..Hα-helixtrans-64.1-41.7-179.4-60.5-21.3000111.7Q21 K22 I27 Q28 L29Q21-D25 PolarHBondContact NE2-OD1 2.73Å; Q21-D25 VanDerWaalsContact O-CG 3.26Å; Q21-D25 PolarHBondContact O-N 2.96Å; K22-D25 PolarHBondContact O-N 3.38Å; D25-I27 VanDerWaalsContact C-N 3.35Å; D25-I27 PolarHBondContact O-N 2.96Å; D25-Q28 PolarHBondContact O-N 3.37Å; D25-L29 WeakPolarHBondContact O-CB 3.5Å; D25-L29 PolarHBondContact O-N 3.09Å
26V88.9Confident86.3Confident17 Ų1761 Ų6110%0.10329%0.29CS..Hα-helixtrans-63.4-39174.1167.40000111.7K22 H24 L29 R30 Q124 K127 H128 I131K22-V26 WeakPolarHBondContact O-CG2 3.44Å; K22-V26 PolarHBondContact O-N 2.99Å; K22-V26 VanDerWaalsContact O-N 3.1Å; H24-V26 PolarHBondContact O-N 3.26Å; V26-L29 PolarHBondContact O-N 2.86Å; V26-R30 WeakPolarHBondContact O-CB 3.22Å; V26-R30 PolarHBondContact O-N 3.05Å; V26-Q124 HydrophobicContact CG1-CB 4.28Å; V26-Q124 WeakPolarHBondContact CG1-O 3.44Å; V26-K127 HydrophobicContact CG1-CB 4.16Å; V26-K127 HydrophobicContact CG2-CB 4.27Å; V26-H128 HydrophobicContact CG1-CB 4.12Å; V26-I131 HydrophobicContact CB-CD1 4.35Å; V26-I131 HydrophobicContact CG2-CD1 3.71Å
27I85Confident86.8Confident4 Ų462.9 Ų62.92%0.02130%0.297CS..Hα-helixtrans-67.8-45.4177.4-71.7169.2000111.3L23 H24 D25 L29 R30 Q31 I165 L169 I172L23-I27 HydrophobicContact CG-CD1 4.19Å; L23-I27 WeakPolarHBondContact O-CD1 3.44Å; L23-I27 VanDerWaalsContact O-CG1 3.26Å; L23-I27 WeakPolarHBondContact O-CG1 3.36Å; L23-I27 PolarHBondContact O-N 3.22Å; L23-I27 VanDerWaalsContact O-N 3.12Å; H24-I27 PolarHBondContact O-N 3.49Å; D25-I27 VanDerWaalsContact C-N 3.35Å; D25-I27 PolarHBondContact O-N 2.96Å; I27-L29 VanDerWaalsContact C-N 3.3Å; I27-L29 PolarHBondContact O-N 3.33Å; I27-R30 PolarHBondContact O-N 3.2Å; I27-Q31 WeakPolarHBondContact O-CG 3.37Å; I27-Q31 PolarHBondContact O-N 3.07Å; I27-I165 HydrophobicContact CD1-CG2 3.46Å; I27-I165 VanDerWaalsContact CD1-CG2 3.46Å; I27-L169 HydrophobicContact CD1-CD1 4.24Å; I27-L169 HydrophobicContact CD1-CD2 4.26Å; I27-L169 HydrophobicContact CD1-CG 4.31Å; I27-L169 HydrophobicContact CG1-CD2 4.32Å; I27-I172 HydrophobicContact CG2-CD1 3.84Å
28Q83.7Confident87.2Confident105 Ų10558.7 Ų58.749%0.49129%0.285SS..Hα-helixtrans-59.2-41.4174-71.5-161.521.500111.8H24 D25 Q31 K32H24-Q28 PolarHBondContact CD2-NE2 3.41Å; H24-Q28 PolarHBondContact NE2-NE2 3.27Å; H24-Q28 PolarHBondContact O-N 3.47Å; D25-Q28 PolarHBondContact O-N 3.37Å; Q28-Q31 PolarHBondContact O-N 3.24Å; Q28-K32 PolarHBondContact O-N 3.36Å
29L89.9Confident87.5Confident74 Ų7456.9 Ų56.939%0.38728%0.284SS..Hα-helixtrans-67.8-39.1178.4-173.154.9000112.1D25 V26 I27 K32 L33 Q124D25-L29 WeakPolarHBondContact O-CB 3.5Å; D25-L29 PolarHBondContact O-N 3.09Å; V26-L29 PolarHBondContact O-N 2.86Å; I27-L29 VanDerWaalsContact C-N 3.3Å; I27-L29 PolarHBondContact O-N 3.33Å; L29-K32 PolarHBondContact O-N 3.41Å; L29-L33 HydrophobicContact CD1-CD1 4.37Å; L29-L33 HydrophobicContact CD1-CG 4.42Å; L29-L33 HydrophobicContact CG-CD1 4.16Å; L29-L33 WeakPolarHBondContact O-CD1 3.49Å; L29-L33 VanDerWaalsContact O-CG 3.29Å; L29-L33 WeakPolarHBondContact O-CG 3.4Å; L29-L33 PolarHBondContact O-N 2.92Å; L29-Q124 HydrophobicContact CG-CG 4.36Å
30R89.1Confident87.9Confident20 Ų2057.9 Ų57.98%0.07529%0.289CS..Hα-helixtrans-59.7-45.2171.5-173.6-178.2176.1-136.5-8.1111.1V26 I27 L33 L34 Q124 D173V26-R30 WeakPolarHBondContact O-CB 3.22Å; V26-R30 PolarHBondContact O-N 3.05Å; I27-R30 PolarHBondContact O-N 3.2Å; R30-L33 PolarHBondContact O-N 2.96Å; R30-L34 HydrophobicContact CG-CD1 4.1Å; R30-L34 WeakPolarHBondContact O-CB 3.35Å; R30-L34 VanDerWaalsContact O-CG 3.31Å; R30-L34 WeakPolarHBondContact O-CG 3.43Å; R30-L34 PolarHBondContact O-N 3.02Å; R30-Q124 HydrophobicContact CB-CB 4.07Å; R30-Q124 HydrophobicContact CG-CB 4.49Å; R30-D173 IonicContact CZ-OD1 2.86Å; R30-D173 IonicContact NH1-OD1 2.6Å; R30-D173 IonicContact NH1-OD2 3.82Å; R30-D173 IonicContact NH2-OD1 3.75Å; R30-D173 PolarHBondContact NH2-OD1 3.25Å; R30-D173 IonicContact NH2-OD2 2.82Å
31Q83.2Confident88.1Confident86 Ų8660 Ų6040%0.40230%0.297SS..Hα-helixtrans-59.3-47.8176-72.7175.6-10.800112.1I27 Q28 L33 L34 L35 I172I27-Q31 WeakPolarHBondContact O-CG 3.37Å; I27-Q31 PolarHBondContact O-N 3.07Å; Q28-Q31 PolarHBondContact O-N 3.24Å; Q31-L33 PolarHBondContact O-N 3.23Å; Q31-L34 PolarHBondContact O-N 3.41Å; Q31-L35 PolarHBondContact O-N 3.26Å; Q31-I172 HydrophobicContact CG-CD1 3.71Å; Q31-I172 HydrophobicContact CG-CG1 3.96Å
32K89.9Confident88.2Confident146 Ų14657.4 Ų57.464%0.63529%0.29SS*.Hα-helixtrans-60.2-44.5179.2-174.6178.3178.4-179.10112.5Q28 L29 L35 E36Q28-K32 PolarHBondContact O-N 3.36Å; L29-K32 PolarHBondContact O-N 3.41Å; K32-L35 PolarHBondContact O-N 3.32Å; K32-E36 PolarHBondContact O-N 2.97Å
33L91.9Very high88.3Confident13 Ų1357.8 Ų57.87%0.06829%0.293CS..Hα-helixtrans-67.5-37.1179-69165000112.5L29 R30 Q31 L35 E36 R37 L117 R120 C121 Q124L29-L33 HydrophobicContact CD1-CD1 4.37Å; L29-L33 HydrophobicContact CD1-CG 4.42Å; L29-L33 HydrophobicContact CG-CD1 4.16Å; L29-L33 WeakPolarHBondContact O-CD1 3.49Å; L29-L33 VanDerWaalsContact O-CG 3.29Å; L29-L33 WeakPolarHBondContact O-CG 3.4Å; L29-L33 PolarHBondContact O-N 2.92Å; R30-L33 PolarHBondContact O-N 2.96Å; Q31-L33 PolarHBondContact O-N 3.23Å; L33-L35 VanDerWaalsContact C-N 3.34Å; L33-E36 PolarHBondContact O-N 2.93Å; L33-R37 WeakPolarHBondContact O-CB 3.47Å; L33-R37 PolarHBondContact O-N 3.32Å; L33-L117 HydrophobicContact CD2-CD2 3.71Å; L33-R120 HydrophobicContact CD1-CB 3.91Å; L33-R120 HydrophobicContact CD2-CB 4.1Å; L33-C121 VanDerWaalsContact CB-SG 3.51Å; L33-Q124 HydrophobicContact CD1-CG 3.84Å
34L87.4Confident88.4Confident19 Ų1958.6 Ų58.610%0.09930%0.297CS..Hα-helixtrans-65-37.8174-73.6170.2000111.9R30 Q31 R37 A38 C121 I172R30-L34 HydrophobicContact CG-CD1 4.1Å; R30-L34 WeakPolarHBondContact O-CB 3.35Å; R30-L34 VanDerWaalsContact O-CG 3.31Å; R30-L34 WeakPolarHBondContact O-CG 3.43Å; R30-L34 PolarHBondContact O-N 3.02Å; Q31-L34 PolarHBondContact O-N 3.41Å; L34-R37 PolarHBondContact O-N 2.94Å; L34-A38 PolarHBondContact O-N 3.44Å; L34-C121 HydrophobicContact CD2-CB 4.5Å; L34-I172 HydrophobicContact CD1-CG2 3.66Å
35L87.8Confident88.3Confident123 Ų12358.6 Ų58.664%0.64430%0.299SS*.Hα-helixtrans-66.7-44.1175.4-168.868.2000112Q31 K32 L33 R37 A38 T39Q31-L35 PolarHBondContact O-N 3.26Å; K32-L35 PolarHBondContact O-N 3.32Å; L33-L35 VanDerWaalsContact C-N 3.34Å; L35-R37 VanDerWaalsContact C-N 3.32Å; L35-R37 PolarHBondContact O-N 3.45Å; L35-A38 PolarHBondContact O-N 3.5Å; L35-T39 PolarHBondContact O-N 3.39Å; L35-T39 PolarHBondContact O-OG1 2.99Å
36E91.8Very high88.2Confident63 Ų6360.3 Ų60.329%0.29430%0.303SS..Hα-helixtrans-61.2-39.7174.5-165.2-173150.500111.5K32 L33 A38 T39 L40 K113 L117K32-E36 PolarHBondContact O-N 2.97Å; L33-E36 PolarHBondContact O-N 2.93Å; E36-A38 PolarHBondContact O-N 2.89Å; E36-T39 PolarHBondContact O-OG1 3.26Å; E36-L40 WeakPolarHBondContact O-CG 3.34Å; E36-L40 PolarHBondContact O-N 3.18Å; E36-L40 VanDerWaalsContact O-N 3.13Å; E36-K113 WeakPolarHBondContact OE1-CE 3.27Å; E36-K113 IonicContact OE1-NZ 2.65Å; E36-K113 PolarHBondContact OE1-NZ 2.87Å; E36-L117 HydrophobicContact CB-CD1 3.91Å; E36-L117 HydrophobicContact CB-CD2 4.47Å; E36-L117 HydrophobicContact CG-CD1 3.65Å; E36-L117 HydrophobicContact CG-CD2 4.34Å
37R91.3Very high88Confident41 Ų4162.2 Ų62.216%0.15531%0.312CS..Hα-helixtrans-63-40.9173.9177.7-176.9172.8-115.610.9112L33 L34 L35 K41 L117 E118L33-R37 WeakPolarHBondContact O-CB 3.47Å; L33-R37 PolarHBondContact O-N 3.32Å; L34-R37 PolarHBondContact O-N 2.94Å; L35-R37 VanDerWaalsContact C-N 3.32Å; L35-R37 PolarHBondContact O-N 3.45Å; R37-K41 PolarHBondContact O-N 3.48Å; R37-L117 HydrophobicContact CB-CB 4.32Å; R37-L117 HydrophobicContact CB-CD1 4.33Å; R37-E118 IonicContact CZ-OE1 3.69Å; R37-E118 VanDerWaalsContact NE-CG 3.29Å; R37-E118 IonicContact NE-OE1 3.83Å; R37-E118 PolarHBondContact NE-OE1 3.19Å; R37-E118 IonicContact NH2-OE1 2.82Å; R37-E118 PolarHBondContact NH2-OE1 3.13Å
38A85.6Confident87.7Confident48 Ų4864.9 Ų64.940%0.39733%0.326SS..Hα-helixtrans-67-41.418000000112.3L34 L35 E36 K41 S42L34-A38 PolarHBondContact O-N 3.44Å; L35-A38 PolarHBondContact O-N 3.5Å; E36-A38 PolarHBondContact O-N 2.89Å; A38-K41 PolarHBondContact O-N 2.87Å; A38-S42 PolarHBondContact O-N 3.49Å
39T90.4Very high87.2Confident72 Ų7268.1 Ų68.144%0.44233%0.334SS..Hα-helixtrans-67.1-42.1177.156.60000111.9L35 E36 S42 Q43L35-T39 PolarHBondContact O-N 3.39Å; L35-T39 PolarHBondContact O-OG1 2.99Å; E36-T39 PolarHBondContact O-OG1 3.26Å; T39-S42 PolarHBondContact O-N 2.94Å; T39-Q43 WeakPolarHBondContact O-CG 3.4Å; T39-Q43 PolarHBondContact O-N 3.47Å
40L93.1Very high86.1Confident23 Ų2373.6 Ų73.612%0.1235%0.349CS..Hα-helixtrans-66.4-36.4175.8-68-176.6000113.1E36 Q43 L44 K113 I114 L117E36-L40 WeakPolarHBondContact O-CG 3.34Å; E36-L40 PolarHBondContact O-N 3.18Å; E36-L40 VanDerWaalsContact O-N 3.13Å; L40-Q43 PolarHBondContact O-N 3.3Å; L40-L44 WeakPolarHBondContact O-CB 3.45Å; L40-L44 PolarHBondContact O-N 3.07Å; L40-K113 HydrophobicContact CD1-CB 4.12Å; L40-K113 HydrophobicContact CD1-CD 4.46Å; L40-K113 HydrophobicContact CD1-CG 3.31Å; L40-I114 HydrophobicContact CB-CD1 4.15Å; L40-I114 HydrophobicContact CB-CG1 3.74Å; L40-I114 HydrophobicContact CD1-CG1 4.44Å; L40-L117 HydrophobicContact CD1-CD1 3.69Å
41K88.9Confident84.5Confident68 Ų6876.1 Ų76.130%0.29637%0.37SS..Hα-helixtrans-59.9-45.4169.7-83-169170.3-1650111.6R37 A38 Q43 L44 D45 I114R37-K41 PolarHBondContact O-N 3.48Å; A38-K41 PolarHBondContact O-N 2.87Å; K41-Q43 VanDerWaalsContact C-N 3.31Å; K41-Q43 PolarHBondContact O-N 3.46Å; K41-L44 PolarHBondContact O-N 3.26Å; K41-L44 VanDerWaalsContact O-N 3.17Å; K41-D45 PolarHBondContact O-N 2.95Å; K41-I114 HydrophobicContact CG-CD1 4.16Å
42S87.3Confident83Confident45 Ų4576.2 Ų76.232%0.31538%0.376SS..Hα-helixtrans-63.3-34.1176.7-171.40000113.1A38 T39 K46A38-S42 PolarHBondContact O-N 3.49Å; T39-S42 PolarHBondContact O-N 2.94Å; S42-K46 WeakPolarHBondContact O-CB 3.21Å; S42-K46 WeakPolarHBondContact O-CD 3.38Å; S42-K46 VanDerWaalsContact O-CG 3.24Å; S42-K46 WeakPolarHBondContact O-CG 3.4Å; S42-K46 PolarHBondContact O-N 2.83Å
43Q89.1Confident81Confident99 Ų9975 Ų7546%0.46338%0.377SS..Hα-helixtrans-67.6-43.5171.9-71.7178.3-5.900111.9T39 L40 K41 K46 L47T39-Q43 WeakPolarHBondContact O-CG 3.4Å; T39-Q43 PolarHBondContact O-N 3.47Å; L40-Q43 PolarHBondContact O-N 3.3Å; K41-Q43 VanDerWaalsContact C-N 3.31Å; K41-Q43 PolarHBondContact O-N 3.46Å; Q43-K46 PolarHBondContact O-N 2.75Å; Q43-L47 WeakPolarHBondContact O-CG 3.43Å; Q43-L47 PolarHBondContact O-N 3.13Å
44L90.7Very high78.7Confident21 Ų2181.1 Ų81.111%0.1141%0.409CS..Hα-helixtrans-61-46.2176.9-177.160.6000111.7L40 K41 K46 L47 L48 V107 I110 R111 I114L40-L44 WeakPolarHBondContact O-CB 3.45Å; L40-L44 PolarHBondContact O-N 3.07Å; K41-L44 PolarHBondContact O-N 3.26Å; K41-L44 VanDerWaalsContact O-N 3.17Å; L44-K46 VanDerWaalsContact C-N 3.29Å; L44-K46 PolarHBondContact O-N 3.25Å; L44-L47 PolarHBondContact O-N 3.18Å; L44-L48 HydrophobicContact CD1-CD1 4.02Å; L44-L48 HydrophobicContact CD1-CG 4.18Å; L44-L48 HydrophobicContact CG-CD1 3.87Å; L44-L48 HydrophobicContact CG-CG 4.43Å; L44-L48 WeakPolarHBondContact O-CB 3.13Å; L44-L48 VanDerWaalsContact O-CG 3.31Å; L44-L48 WeakPolarHBondContact O-CG 3.2Å; L44-L48 PolarHBondContact O-N 3.48Å; L44-V107 HydrophobicContact CD1-CG1 3.99Å; L44-V107 HydrophobicContact CD1-CG2 4.49Å; L44-I110 HydrophobicContact CB-CG2 3.97Å; L44-I110 HydrophobicContact CD1-CG2 4.42Å; L44-R111 HydrophobicContact CD1-CG 4Å; L44-R111 HydrophobicContact CD2-CG 3.78Å; L44-I114 HydrophobicContact CB-CD1 4.32Å; L44-I114 HydrophobicContact CD2-CD1 3.9Å
45D82.6Confident76.7Confident60 Ų6085.4 Ų85.432%0.32144%0.436SS..Hα-helixtrans-60.9-37.3176.8-72.2-4.9000111.9K41 R49K41-D45 PolarHBondContact O-N 2.95Å; D45-R49 WeakPolarHBondContact O-CB 3.43Å; D45-R49 VanDerWaalsContact O-CG 3.27Å; D45-R49 WeakPolarHBondContact O-CG 3.27Å; D45-R49 PolarHBondContact O-N 3.09Å
46K84.9Confident74.1Confident119 Ų11986.2 Ų86.252%0.51744%0.441SS..Hα-helixtrans-69.8-37.3176.5-74.9170.2-175.9177.90112.9S42 Q43 L44 R50S42-K46 WeakPolarHBondContact O-CB 3.21Å; S42-K46 WeakPolarHBondContact O-CD 3.38Å; S42-K46 VanDerWaalsContact O-CG 3.24Å; S42-K46 WeakPolarHBondContact O-CG 3.4Å; S42-K46 PolarHBondContact O-N 2.83Å; Q43-K46 PolarHBondContact O-N 2.75Å; L44-K46 VanDerWaalsContact C-N 3.29Å; L44-K46 PolarHBondContact O-N 3.25Å; K46-R50 PolarHBondContact O-N 2.92Å
47L83.6Confident71.4Confident58 Ų5890.8 Ų90.830%0.30447%0.467SS..Hα-helixtrans-69.8-44.9175.2-71.5171.1000111.3Q43 L44 R49 R50 S51 V107 I110Q43-L47 WeakPolarHBondContact O-CG 3.43Å; Q43-L47 PolarHBondContact O-N 3.13Å; L44-L47 PolarHBondContact O-N 3.18Å; L47-R49 VanDerWaalsContact C-N 3.3Å; L47-R49 PolarHBondContact O-N 3.33Å; L47-R50 PolarHBondContact O-N 3.42Å; L47-S51 PolarHBondContact O-N 3.11Å; L47-V107 HydrophobicContact CB-CG2 4.13Å; L47-V107 HydrophobicContact CD1-CG2 4.23Å; L47-I110 HydrophobicContact CD1-CD1 3.43Å; L47-I110 VanDerWaalsContact CD1-CD1 3.43Å
48L79.4Confident68.7Low60 Ų6097.3 Ų97.331%0.31450%0.503SS..Hα-helixtrans-65.6-30.7177.6-67.4172.1000112.8L44 S51 V52L44-L48 HydrophobicContact CD1-CD1 4.02Å; L44-L48 HydrophobicContact CD1-CG 4.18Å; L44-L48 HydrophobicContact CG-CD1 3.87Å; L44-L48 HydrophobicContact CG-CG 4.43Å; L44-L48 WeakPolarHBondContact O-CB 3.13Å; L44-L48 VanDerWaalsContact O-CG 3.31Å; L44-L48 WeakPolarHBondContact O-CG 3.2Å; L44-L48 PolarHBondContact O-N 3.48Å; L48-S51 PolarHBondContact O-OG 3.03Å; L48-V52 WeakPolarHBondContact O-CG2 3.49Å
49R73.2Confident66.3Low172 Ų17299 Ų9965%0.64953%0.525SS*.Hα-helixtrans-73.2-22.6171.6-77.4175.3-179.1-1005.5113.8D45 L47 N53D45-R49 WeakPolarHBondContact O-CB 3.43Å; D45-R49 VanDerWaalsContact O-CG 3.27Å; D45-R49 WeakPolarHBondContact O-CG 3.27Å; D45-R49 PolarHBondContact O-N 3.09Å; L47-R49 VanDerWaalsContact C-N 3.3Å; L47-R49 PolarHBondContact O-N 3.33Å; R49-N53 PolarHBondContact O-OD1 3.24Å
50R66.4Low63.7Low190 Ų19098.2 Ų98.272%0.71753%0.532SS*.Hα-helixtrans-73-50.5173.4-78.5-178.4172.1-169.9-4.8110.7K46 L47 V52 N53K46-R50 PolarHBondContact O-N 2.92Å; L47-R50 PolarHBondContact O-N 3.42Å; R50-V52 PolarHBondContact O-N 2.97Å; R50-N53 PolarHBondContact O-N 2.88Å; R50-N53 VanDerWaalsContact O-N 3.07Å
51S56.9Low61.2Low73 Ų73104.5 Ų104.551%0.5157%0.565SS.*Hα-helixtrans-70.719.4-178.972.30000115.6L47 L48L47-S51 PolarHBondContact O-N 3.11Å; L48-S51 PolarHBondContact O-OG 3.03Å
52V51.8Low59Low87 Ų87108.3 Ų108.353%0.52759%0.589SS.*Hα-helixtrans-116.7-25.8173171.10000110.6L48 R50 D54L48-V52 WeakPolarHBondContact O-CG2 3.49Å; R50-V52 PolarHBondContact O-N 2.97Å; V52-D54 VanDerWaalsContact C-N 3.33Å; V52-D54 PolarHBondContact O-N 3.38Å
53N47Very low56.8Low121 Ų121112.7 Ų112.765%0.64761%0.609SS**Hα-helixtrans-78.4-15.4-176.4-70.712.7000113.6R49 R50 V55R49-N53 PolarHBondContact O-OD1 3.24Å; R50-N53 PolarHBondContact O-N 2.88Å; R50-N53 VanDerWaalsContact O-N 3.07Å; N53-V55 VanDerWaalsContact C-N 3.27Å; N53-V55 PolarHBondContact O-N 2.85Å
54D44.6Very low54.5Low141 Ų141114.6 Ų114.675%0.75462%0.622SS**THydrogen-bonded Turntrans-8815.5-176.4-55.1-50.1000113.5V52V52-D54 VanDerWaalsContact C-N 3.33Å; V52-D54 PolarHBondContact O-N 3.38Å
55V44Very low52.1Low110 Ų110121 Ų12167%0.66766%0.657SS**SBendtrans-116.9-29.1-175.1-176.60000113.2N53 L57N53-V55 VanDerWaalsContact C-N 3.27Å; N53-V55 PolarHBondContact O-N 2.85Å; V55-L57 PolarHBondContact O-N 3.13Å
56D34.5Very low50.3Low140 Ų140126.3 Ų126.375%0.74969%0.685SS**SBendtrans-93.152.7-172.3-66-28.9000113
57L35.2Very low48.6Very low159 Ų159127.6 Ų127.683%0.83270%0.697SS**  trans-13624.5179.8-90.2178.3000115.6V55V55-L57 PolarHBondContact O-N 3.13Å
58I34Very low46.5Very low177 Ų177132.1 Ų132.191%0.90872%0.722SS**SBendtrans-138.9103.9165.2-53.7178.2000108.7
59G34.8Very low44.9Very low84 Ų84137.4 Ų137.487%0.86675%0.75SS**  trans160.947.8-179.600000116.5
60G36.8Very low43.4Very low56 Ų56136.2 Ų136.258%0.57776%0.757SS**  trans-121.2150.9156.200000108.8
61D38.7Very low42.2Very low155 Ų155134.8 Ų134.883%0.82976%0.763SS**  cis-138.1-120.8-5.8-73.5-64.5000109.6
62D43.3Very low41.5Very low147 Ų147138.8 Ų138.879%0.78678%0.779SS**  trans74117.7175.6-44.37.8000116.6
63D41.3Very low40.8Very low137 Ų137138.5 Ų138.573%0.73379%0.794SS**  cis-167.4-174.2-21.3-122.9-28000111
64D40.6Very low40.3Very low139 Ų139136.5 Ų136.574%0.74380%0.802SS**  trans75.2108.9160-57-35.5000120.4
65D41.2Very low40.1Very low157 Ų157138.1 Ų138.184%0.8481%0.811SS**  173.996.7118.9-91.8-12.8000110.2
66D44.7Very low39.7Very low171 Ų171136.8 Ų136.891%0.91482%0.819SS**  trans-157.2127.3160.2-110.9-29.9000108.1
67D48Very low39.8Very low146 Ų146137.3 Ų137.378%0.78182%0.822SS**  trans-86.3152-157.1-62.4-60.6000117.1
68D40.9Very low39.8Very low152 Ų152134.9 Ų134.981%0.81382%0.819SS**  trans44.7118.8146-63.2-17.1000122.6
69D44.8Very low39.7Very low171 Ų171130.1 Ų130.191%0.91481%0.813SS**  -158.7136121.9-126.9-21000111.3
70D41.3Very low39.6Very low147 Ų147132.1 Ų132.179%0.78681%0.814SS**  trans-78146.6-169.6-75.4-60.2000115
71N42.2Very low39.2Very low160 Ų160133.4 Ų133.486%0.85683%0.827SS**  -170.5148.8124.2-110.8-88000116.1
72D41.1Very low38.8Very low157 Ų157129.3 Ų129.384%0.8482%0.821SS**  trans-49.7135.6-173.6-74.6-48000119.5
73G37.8Very low38.2Very low82 Ų82130 Ų13085%0.84583%0.83SS**  104.3134.2104.500000121
74G37.2Very low37.7Very low79 Ų79126.9 Ų126.981%0.81483%0.831SS**  trans140.2107.7155.200000117.3
75D39.2Very low37.3Very low174 Ų174125.6 Ų125.693%0.9384%0.839SS**  trans-67159.4173.3-49.5-89.1000114.5
76G37.1Very low36.8Very low82 Ų82121.8 Ų121.885%0.84584%0.838SS**  trans-175.480.5175.100000117.4
77D36.5Very low36.1Very low151 Ų151123.5 Ų123.581%0.80784%0.837SS**  trans-72.1156.4-174.6-17934.9000117.4
78S34.4Very low35.4Very low109 Ų109122.9 Ų122.976%0.76284%0.839SS**  trans72.3160.3154.580.70000121.2
79G31.3Very low34.9Very low77 Ų77124.5 Ų124.579%0.79484%0.841SS**  trans152.772.416300000119.4
80S32.3Very low34.4Very low125 Ų125124.1 Ų124.187%0.87484%0.839SS**  trans-59.4140.4178.154.50000118.9
81G30Very low33.8Very low84 Ų84124.5 Ų124.587%0.86684%0.841SS**  trans81.3164.3153.400000117.6
82G29.6Very low33.3Very low68 Ų68124.1 Ų124.170%0.70184%0.839SS**  cis165.1146.1-9.100000113.5
83V30.7Very low32.9Very low161 Ų161123.3 Ų123.398%0.97684%0.844SS**  trans69.5139.4173.8-168.90000116.4
84G31.7Very low32.5Very low72 Ų72128.3 Ų128.374%0.74285%0.845SS**  trans156.938.5167.600000121.2
85A30.3Very low32.1Very low112 Ų112131.6 Ų131.693%0.92684%0.843SS**  trans-19.5124.2179.900000120
86G32.7Very low32.1Very low78 Ų78131 Ų13180%0.80484%0.835SS**  trans-142.4122.717300000113.5
87K29.9Very low32.2Very low206 Ų206135.8 Ų135.890%0.89684%0.835SS**  trans-64.7123.7-166.1-58.5164.1177.1173.80117
88T33.3Very low32.6Very low134 Ų134132.6 Ų132.682%0.82282%0.821SS**  trans-175.5119.2138.623.20000106.3
89Q30Very low33.2Very low185 Ų185134.3 Ų134.386%0.86482%0.817SS**  67.981.153-163.1176.715.100114.5
90L33.2Very low34.4Very low164 Ų164134.5 Ų134.586%0.85980%0.8SS**  trans-168.9104144.9-111.5167.5000111
91D28.9Very low35.6Very low155 Ų155131.4 Ų131.483%0.82978%0.778SS**  trans-91.6126162.2-71.3-64.8000109
92N33.1Very low37.1Very low152 Ų152134.4 Ų134.481%0.81377%0.767SS**  trans177106.1150.3-99.8-32.8000112.4
93C31.2Very low39Very low140 Ų140133.3 Ų133.395%0.94675%0.749SS**  trans-143.271.3164.4-83.30000110.6
94Q30.1Very low41.2Very low186 Ų186130.9 Ų130.987%0.86973%0.725SS**  trans-145.541.3176.2-152.61711500113.9
95L29Very low43.4Very low148 Ų148131.5 Ų131.578%0.77571%0.711SS**  trans-141.2108.8171.7-71.2175.5000109.9
96H38.1Very low45.9Very low163 Ų163129 Ų12976%0.75568%0.684SS**SBendtrans-165.7-22.2157-114.2-66.7000114.9T98H96-T98 VanDerWaalsContact C-N 3.31Å; H96-T98 PolarHBondContact O-N 2.78Å
97E39Very low48.6Very low181 Ų181126.3 Ų126.385%0.84665%0.653SS**THydrogen-bonded Turntrans-73.5-15.4-176.9-60.9-173137.500114.8
98T46.1Very low51.1Low84 Ų84122.8 Ų122.852%0.51564%0.637SS.*THydrogen-bonded Turntrans-87.5-16.8-169.550.10000115.3H96 S101H96-T98 VanDerWaalsContact C-N 3.31Å; H96-T98 PolarHBondContact O-N 2.78Å; T98-S101 PolarHBondContact O-OG 3.02Å
99E46.4Very low53.8Low146 Ų146123.1 Ų123.168%0.68263%0.629SS**Hα-helixtrans-86.1-34.6174.6-58.6-151.9126.500111.7S101 K102 S103E99-S101 PolarHBondContact O-N 3.46Å; E99-K102 PolarHBondContact O-N 2.9Å; E99-K102 VanDerWaalsContact O-N 3.16Å; E99-S103 PolarHBondContact O-N 2.99Å
100D56.4Low56.7Low81 Ų81115.5 Ų115.543%0.43359%0.594SS.*Hα-helixtrans-79.2-1.9-173.3-159.633.5000114S103 K104D100-S103 WeakPolarHBondContact CA-OG 3.23Å; D100-S103 PolarHBondContact O-OG 2.99Å; D100-S103 PolarHBondContact OD1-OG 3.44Å; D100-S103 VanDerWaalsContact OD1-OG 3.06Å; D100-K104 WeakPolarHBondContact O-CD 3.38Å; D100-K104 WeakPolarHBondContact O-CE 3.45Å; D100-K104 WeakPolarHBondContact O-CG 3.44Å; D100-K104 PolarHBondContact O-NZ 2.8Å; D100-K104 IonicContact OD1-NZ 2.79Å; D100-K104 WeakPolarHBondContact OD2-CE 3.43Å; D100-K104 IonicContact OD2-NZ 2.62Å; D100-K104 PolarHBondContact OD2-NZ 3.11Å
101S57.3Low59.4Low59 Ų59113.7 Ų113.741%0.41358%0.576SS.*Hα-helixtrans-86.2-47.2163.850.80000111.2T98 E99 S103 K104 D105T98-S101 PolarHBondContact O-OG 3.02Å; E99-S101 PolarHBondContact O-N 3.46Å; S101-S103 VanDerWaalsContact C-N 3.32Å; S101-S103 PolarHBondContact O-N 3.41Å; S101-K104 PolarHBondContact O-N 3.41Å; S101-K104 VanDerWaalsContact O-N 3.13Å; S101-D105 PolarHBondContact O-N 2.96Å
102K63.2Low62.3Low148 Ų148110 Ų11064%0.64356%0.563SS**Hα-helixtrans-61.8-36.6177.8-61.6177-176.7174.70112.3E99 T106E99-K102 PolarHBondContact O-N 2.9Å; E99-K102 VanDerWaalsContact O-N 3.16Å; K102-T106 WeakPolarHBondContact O-CG2 3.32Å; K102-T106 PolarHBondContact O-N 2.9Å; K102-T106 VanDerWaalsContact O-N 3.08Å; K102-T106 PolarHBondContact O-OG1 2.92Å
103S68.5Low65Low45 Ų45106.8 Ų106.832%0.31554%0.542SS..Hα-helixtrans-60.1-44.4173.3690000111.8E99 D100 S101 T106 V107E99-S103 PolarHBondContact O-N 2.99Å; D100-S103 WeakPolarHBondContact CA-OG 3.23Å; D100-S103 PolarHBondContact O-OG 2.99Å; D100-S103 PolarHBondContact OD1-OG 3.44Å; D100-S103 VanDerWaalsContact OD1-OG 3.06Å; S101-S103 VanDerWaalsContact C-N 3.32Å; S101-S103 PolarHBondContact O-N 3.41Å; S103-T106 PolarHBondContact O-OG1 2.72Å; S103-V107 WeakPolarHBondContact O-CB 3.45Å; S103-V107 WeakPolarHBondContact O-CG2 3.44Å; S103-V107 PolarHBondContact O-N 2.88Å; S103-V107 VanDerWaalsContact O-N 3.14Å
104K76Confident67.9Low110 Ų110100.7 Ų100.748%0.47850%0.499SS..Hα-helixtrans-70.9-39.6-177.8-68.5169.1-164.4140.80111.9D100 S101 V107 K108D100-K104 WeakPolarHBondContact O-CD 3.38Å; D100-K104 WeakPolarHBondContact O-CE 3.45Å; D100-K104 WeakPolarHBondContact O-CG 3.44Å; D100-K104 PolarHBondContact O-NZ 2.8Å; D100-K104 IonicContact OD1-NZ 2.79Å; D100-K104 WeakPolarHBondContact OD2-CE 3.43Å; D100-K104 IonicContact OD2-NZ 2.62Å; D100-K104 PolarHBondContact OD2-NZ 3.11Å; S101-K104 PolarHBondContact O-N 3.41Å; S101-K104 VanDerWaalsContact O-N 3.13Å; K104-V107 PolarHBondContact O-N 3.37Å; K104-K108 WeakPolarHBondContact O-CG 3.37Å; K104-K108 PolarHBondContact O-N 2.89Å
105D79.1Confident70.7Confident84 Ų8498.8 Ų98.845%0.44949%0.488SS..Hα-helixtrans-73.9-37.3179.6-72.6-26.9000113.2S101 V107 K108 Q109S101-D105 PolarHBondContact O-N 2.96Å; D105-V107 VanDerWaalsContact C-N 3.34Å; D105-V107 PolarHBondContact O-N 2.91Å; D105-K108 WeakPolarHBondContact O-CB 3.32Å; D105-K108 PolarHBondContact O-N 3.47Å; D105-K108 WeakPolarHBondContact OD1-CD 3.21Å; D105-K108 VanDerWaalsContact OD1-CE 3.3Å; D105-K108 WeakPolarHBondContact OD1-CE 3.13Å; D105-K108 IonicContact OD1-NZ 2.73Å; D105-K108 PolarHBondContact OD1-NZ 3.44Å; D105-Q109 WeakPolarHBondContact O-CB 3.38Å; D105-Q109 PolarHBondContact O-N 2.8Å
106T82.3Confident73.5Confident60 Ų6094.7 Ų94.737%0.36847%0.465SS..Hα-helixtrans-63.6-38.617149.70000111.9K102 S103 Q109 I110K102-T106 WeakPolarHBondContact O-CG2 3.32Å; K102-T106 PolarHBondContact O-N 2.9Å; K102-T106 VanDerWaalsContact O-N 3.08Å; K102-T106 PolarHBondContact O-OG1 2.92Å; S103-T106 PolarHBondContact O-OG1 2.72Å; T106-Q109 PolarHBondContact O-N 2.94Å; T106-I110 WeakPolarHBondContact O-CG1 3.18Å; T106-I110 PolarHBondContact O-N 3.04Å
107V88.6Confident75.9Confident22 Ų2287 Ų8713%0.13343%0.429CS..Hα-helixtrans-63.3-40.2171.5165.80000112.3L44 L47 S103 K104 D105 R111L44-V107 HydrophobicContact CD1-CG1 3.99Å; L44-V107 HydrophobicContact CD1-CG2 4.49Å; L47-V107 HydrophobicContact CB-CG2 4.13Å; L47-V107 HydrophobicContact CD1-CG2 4.23Å; S103-V107 WeakPolarHBondContact O-CB 3.45Å; S103-V107 WeakPolarHBondContact O-CG2 3.44Å; S103-V107 PolarHBondContact O-N 2.88Å; S103-V107 VanDerWaalsContact O-N 3.14Å; K104-V107 PolarHBondContact O-N 3.37Å; D105-V107 VanDerWaalsContact C-N 3.34Å; D105-V107 PolarHBondContact O-N 2.91Å; V107-R111 WeakPolarHBondContact O-CB 3.47Å; V107-R111 VanDerWaalsContact O-CG 3.26Å; V107-R111 WeakPolarHBondContact O-CG 3.5Å; V107-R111 PolarHBondContact O-N 3Å
108K84.3Confident78.1Confident132 Ų13281.8 Ų81.857%0.57441%0.405SS*.Hα-helixtrans-60.7-45.8172.2-69.7170.4-161164.80111.2K104 D105 R111 S112K104-K108 WeakPolarHBondContact O-CG 3.37Å; K104-K108 PolarHBondContact O-N 2.89Å; D105-K108 WeakPolarHBondContact O-CB 3.32Å; D105-K108 PolarHBondContact O-N 3.47Å; D105-K108 WeakPolarHBondContact OD1-CD 3.21Å; D105-K108 VanDerWaalsContact OD1-CE 3.3Å; D105-K108 WeakPolarHBondContact OD1-CE 3.13Å; D105-K108 IonicContact OD1-NZ 2.73Å; D105-K108 PolarHBondContact OD1-NZ 3.44Å; K108-R111 PolarHBondContact O-N 3.22Å; K108-S112 WeakPolarHBondContact O-CB 3.3Å; K108-S112 PolarHBondContact O-N 3Å
109Q89.3Confident80.1Confident140 Ų14084.1 Ų84.165%0.65441%0.408SS*.Hα-helixtrans-63.7-45.8-177.7-163.7179.321.700111.9D105 T106 S112 K113D105-Q109 WeakPolarHBondContact O-CB 3.38Å; D105-Q109 PolarHBondContact O-N 2.8Å; T106-Q109 PolarHBondContact O-N 2.94Å; Q109-S112 WeakPolarHBondContact O-CB 3.36Å; Q109-S112 PolarHBondContact O-N 3.24Å; Q109-K113 PolarHBondContact O-N 3.29Å
110I91.4Very high82.2Confident26 Ų2682.7 Ų82.713%0.13340%0.397CS..Hα-helixtrans-63.2-44.5176.2-68.1166.1000110.9L44 L47 T106 S112 K113 I114L44-I110 HydrophobicContact CB-CG2 3.97Å; L44-I110 HydrophobicContact CD1-CG2 4.42Å; L47-I110 HydrophobicContact CD1-CD1 3.43Å; L47-I110 VanDerWaalsContact CD1-CD1 3.43Å; T106-I110 WeakPolarHBondContact O-CG1 3.18Å; T106-I110 PolarHBondContact O-N 3.04Å; I110-S112 VanDerWaalsContact C-N 3.3Å; I110-S112 PolarHBondContact O-N 3.25Å; I110-K113 PolarHBondContact O-N 3.29Å; I110-I114 HydrophobicContact CG2-CD1 3.9Å; I110-I114 HydrophobicContact CG2-CG1 4.49Å; I110-I114 WeakPolarHBondContact O-CG1 3.25Å; I110-I114 PolarHBondContact O-N 3.22Å
111R89.6Confident83.5Confident125 Ų12579.6 Ų79.647%0.47238%0.381SS..Hα-helixtrans-60.5-37.7174.9-75.2173.9175.2-174.20.5112.6L44 V107 K108 K115L44-R111 HydrophobicContact CD1-CG 4Å; L44-R111 HydrophobicContact CD2-CG 3.78Å; V107-R111 WeakPolarHBondContact O-CB 3.47Å; V107-R111 VanDerWaalsContact O-CG 3.26Å; V107-R111 WeakPolarHBondContact O-CG 3.5Å; V107-R111 PolarHBondContact O-N 3Å; K108-R111 PolarHBondContact O-N 3.22Å; R111-K115 PolarHBondContact O-N 3.08Å
112S89.1Confident84.7Confident79 Ų7979.2 Ų79.255%0.55238%0.382SS*.Hα-helixtrans-65.4-48.3175.1-168.20000111.7K108 Q109 I110 I114 K115 E116K108-S112 WeakPolarHBondContact O-CB 3.3Å; K108-S112 PolarHBondContact O-N 3Å; Q109-S112 WeakPolarHBondContact O-CB 3.36Å; Q109-S112 PolarHBondContact O-N 3.24Å; I110-S112 VanDerWaalsContact C-N 3.3Å; I110-S112 PolarHBondContact O-N 3.25Å; S112-I114 VanDerWaalsContact C-N 3.34Å; S112-I114 PolarHBondContact O-N 3.48Å; S112-K115 WeakPolarHBondContact O-CB 3.42Å; S112-K115 PolarHBondContact O-N 3.31Å; S112-K115 VanDerWaalsContact O-N 3.16Å; S112-E116 PolarHBondContact O-N 3.49Å
113K90.7Very high85.7Confident84 Ų8475.7 Ų75.737%0.36537%0.369SS..Hα-helixtrans-63.1-35.9178.2179.669.6179.1178.80112.7E36 L40 Q109 I110 E116 L117E36-K113 WeakPolarHBondContact OE1-CE 3.27Å; E36-K113 IonicContact OE1-NZ 2.65Å; E36-K113 PolarHBondContact OE1-NZ 2.87Å; L40-K113 HydrophobicContact CD1-CB 4.12Å; L40-K113 HydrophobicContact CD1-CD 4.46Å; L40-K113 HydrophobicContact CD1-CG 3.31Å; Q109-K113 PolarHBondContact O-N 3.29Å; I110-K113 PolarHBondContact O-N 3.29Å; K113-E116 PolarHBondContact O-N 3.23Å; K113-L117 WeakPolarHBondContact O-CG 3.45Å; K113-L117 PolarHBondContact O-N 2.99Å
114I92.6Very high86.6Confident12 Ų1274.8 Ų74.86%0.06236%0.36CS..Hα-helixtrans-62-46.7172.4-70.3165.7000111L40 K41 L44 I110 S112 E116 L117 E118L40-I114 HydrophobicContact CB-CD1 4.15Å; L40-I114 HydrophobicContact CB-CG1 3.74Å; L40-I114 HydrophobicContact CD1-CG1 4.44Å; K41-I114 HydrophobicContact CG-CD1 4.16Å; L44-I114 HydrophobicContact CB-CD1 4.32Å; L44-I114 HydrophobicContact CD2-CD1 3.9Å; I110-I114 HydrophobicContact CG2-CD1 3.9Å; I110-I114 HydrophobicContact CG2-CG1 4.49Å; I110-I114 WeakPolarHBondContact O-CG1 3.25Å; I110-I114 PolarHBondContact O-N 3.22Å; S112-I114 VanDerWaalsContact C-N 3.34Å; S112-I114 PolarHBondContact O-N 3.48Å; I114-E116 VanDerWaalsContact C-N 3.29Å; I114-E116 PolarHBondContact O-N 3.35Å; I114-L117 PolarHBondContact O-N 3.37Å; I114-E118 WeakPolarHBondContact O-CG 3.26Å; I114-E118 PolarHBondContact O-N 2.95Å
115K87.3Confident86.9Confident145 Ų14572.6 Ų72.663%0.6335%0.353SS*.Hα-helixtrans-60.6-38176-73.5-178176.1-174.90112.4R111 S112 E118 K119R111-K115 PolarHBondContact O-N 3.08Å; S112-K115 WeakPolarHBondContact O-CB 3.42Å; S112-K115 PolarHBondContact O-N 3.31Å; S112-K115 VanDerWaalsContact O-N 3.16Å; K115-E118 PolarHBondContact O-N 3.17Å; K115-K119 WeakPolarHBondContact O-CG 3.41Å; K115-K119 PolarHBondContact O-N 2.75Å
116E88.2Confident87.1Confident63 Ų6372.4 Ų72.429%0.29435%0.352SS..Hα-helixtrans-67.2-40.4176.4176.257.5-167.400112.2S112 K113 I114 E118 K119 R120S112-E116 PolarHBondContact O-N 3.49Å; K113-E116 PolarHBondContact O-N 3.23Å; I114-E116 VanDerWaalsContact C-N 3.29Å; I114-E116 PolarHBondContact O-N 3.35Å; E116-E118 VanDerWaalsContact C-N 3.34Å; E116-K119 PolarHBondContact O-N 3.32Å; E116-R120 WeakPolarHBondContact O-CG 3.37Å; E116-R120 PolarHBondContact O-N 3.47Å; E116-R120 IonicContact OE1-CZ 3.31Å; E116-R120 IonicContact OE1-NE 2.71Å; E116-R120 PolarHBondContact OE1-NE 3.47Å; E116-R120 IonicContact OE1-NH2 2.73Å; E116-R120 PolarHBondContact OE1-NH2 2.95Å
117L89.5Confident87.2Confident1 Ų174.7 Ų74.71%0.00536%0.357CS..Hα-helixtrans-66.5-35.5172.8-69174.3000112.5L33 E36 R37 L40 K113 I114 R120 C121L33-L117 HydrophobicContact CD2-CD2 3.71Å; E36-L117 HydrophobicContact CB-CD1 3.91Å; E36-L117 HydrophobicContact CB-CD2 4.47Å; E36-L117 HydrophobicContact CG-CD1 3.65Å; E36-L117 HydrophobicContact CG-CD2 4.34Å; R37-L117 HydrophobicContact CB-CB 4.32Å; R37-L117 HydrophobicContact CB-CD1 4.33Å; L40-L117 HydrophobicContact CD1-CD1 3.69Å; K113-L117 WeakPolarHBondContact O-CG 3.45Å; K113-L117 PolarHBondContact O-N 2.99Å; I114-L117 PolarHBondContact O-N 3.37Å; L117-R120 PolarHBondContact O-N 3.36Å; L117-C121 WeakPolarHBondContact O-CB 3.29Å; L117-C121 PolarHBondContact O-N 2.76Å; L117-C121 PolarHBondContact O-SG 3.43Å; L117-C121 VanDerWaalsContact O-SG 3.37Å
118E85.4Confident86.8Confident71 Ų7174.5 Ų74.533%0.33235%0.354SS..Hα-helixtrans-63.3-42.2174.4-74.4175.2159.300111.8R37 I114 K115 E116 C121 A122R37-E118 IonicContact CZ-OE1 3.69Å; R37-E118 VanDerWaalsContact NE-CG 3.29Å; R37-E118 IonicContact NE-OE1 3.83Å; R37-E118 PolarHBondContact NE-OE1 3.19Å; R37-E118 IonicContact NH2-OE1 2.82Å; R37-E118 PolarHBondContact NH2-OE1 3.13Å; I114-E118 WeakPolarHBondContact O-CG 3.26Å; I114-E118 PolarHBondContact O-N 2.95Å; K115-E118 PolarHBondContact O-N 3.17Å; E116-E118 VanDerWaalsContact C-N 3.34Å; E118-C121 PolarHBondContact O-N 2.84Å; E118-A122 PolarHBondContact O-N 3.4Å
119K87.3Confident86.7Confident133 Ų13373 Ų7358%0.57835%0.349SS*.Hα-helixtrans-59-46.4169.8-69.8176-178.7178.60112K115 E116 A122 L123K115-K119 WeakPolarHBondContact O-CG 3.41Å; K115-K119 PolarHBondContact O-N 2.75Å; E116-K119 PolarHBondContact O-N 3.32Å; K119-A122 PolarHBondContact O-N 3.15Å; K119-L123 WeakPolarHBondContact O-CG 3.35Å; K119-L123 PolarHBondContact O-N 3.11Å
120R89.4Confident86.4Confident117 Ų11772.6 Ų72.644%0.44235%0.347SS..Hα-helixtrans-64.1-41.3-179.9-69.8177.7-171.2-141.5-4.5112.2L33 E116 L117 L123 Q124L33-R120 HydrophobicContact CD1-CB 3.91Å; L33-R120 HydrophobicContact CD2-CB 4.1Å; E116-R120 WeakPolarHBondContact O-CG 3.37Å; E116-R120 PolarHBondContact O-N 3.47Å; E116-R120 IonicContact OE1-CZ 3.31Å; E116-R120 IonicContact OE1-NE 2.71Å; E116-R120 PolarHBondContact OE1-NE 3.47Å; E116-R120 IonicContact OE1-NH2 2.73Å; E116-R120 PolarHBondContact OE1-NH2 2.95Å; L117-R120 PolarHBondContact O-N 3.36Å; R120-L123 PolarHBondContact O-N 3.42Å; R120-Q124 WeakPolarHBondContact O-CG 3.45Å; R120-Q124 PolarHBondContact O-N 3.22Å
121C85Confident86.2Confident15 Ų1572 Ų7210%0.10135%0.345CS..Hα-helixtrans-61-42.7173.5-74.90000112.3L33 L34 L117 E118 Q124 L125L33-C121 VanDerWaalsContact CB-SG 3.51Å; L34-C121 HydrophobicContact CD2-CB 4.5Å; L117-C121 WeakPolarHBondContact O-CB 3.29Å; L117-C121 PolarHBondContact O-N 2.76Å; L117-C121 PolarHBondContact O-SG 3.43Å; L117-C121 VanDerWaalsContact O-SG 3.37Å; E118-C121 PolarHBondContact O-N 2.84Å; C121-Q124 PolarHBondContact O-N 3.05Å; C121-L125 PolarHBondContact O-N 2.83Å; C121-L125 VanDerWaalsContact O-N 3.12Å
122A82Confident85.8Confident52 Ų5269.4 Ų69.443%0.4334%0.339SS..Hα-helixtrans-65.2-38.717600000112.3E118 K119 Q124 L125 L126E118-A122 PolarHBondContact O-N 3.4Å; K119-A122 PolarHBondContact O-N 3.15Å; A122-Q124 PolarHBondContact O-N 3.24Å; A122-L125 WeakPolarHBondContact O-CB 3.46Å; A122-L125 PolarHBondContact O-N 3.16Å; A122-L126 PolarHBondContact O-N 3.24Å; A122-L126 VanDerWaalsContact O-N 3.12Å
123L85.1Confident85.4Confident74 Ų7470.8 Ų70.839%0.38734%0.34SS..Hα-helixtrans-64.1-36.5174.6-74.2167.4000112.8K119 R120 L125 L126 K127K119-L123 WeakPolarHBondContact O-CG 3.35Å; K119-L123 PolarHBondContact O-N 3.11Å; R120-L123 PolarHBondContact O-N 3.42Å; L123-L125 VanDerWaalsContact C-N 3.34Å; L123-L126 PolarHBondContact O-N 3.36Å; L123-K127 WeakPolarHBondContact O-CG 3.49Å; L123-K127 PolarHBondContact O-N 3.15Å; L123-K127 VanDerWaalsContact O-N 3.08Å
124Q85.7Confident85Confident25 Ų2569.7 Ų69.712%0.11734%0.336CS..Hα-helixtrans-70.7-28.7173.1-59.8-52-28.900112.8V26 L29 R30 L33 R120 C121 A122 H128V26-Q124 HydrophobicContact CG1-CB 4.28Å; V26-Q124 WeakPolarHBondContact CG1-O 3.44Å; L29-Q124 HydrophobicContact CG-CG 4.36Å; R30-Q124 HydrophobicContact CB-CB 4.07Å; R30-Q124 HydrophobicContact CG-CB 4.49Å; L33-Q124 HydrophobicContact CD1-CG 3.84Å; R120-Q124 WeakPolarHBondContact O-CG 3.45Å; R120-Q124 PolarHBondContact O-N 3.22Å; C121-Q124 PolarHBondContact O-N 3.05Å; A122-Q124 PolarHBondContact O-N 3.24Å; Q124-H128 WeakPolarHBondContact O-CB 3.46Å; Q124-H128 PolarHBondContact O-N 2.83Å
125L82.8Confident84.5Confident65 Ų6569.7 Ų69.734%0.3434%0.336SS..Hα-helixtrans-64.3-46.3172.2-166.381000111C121 A122 L123 K127 H128 E129C121-L125 PolarHBondContact O-N 2.83Å; C121-L125 VanDerWaalsContact O-N 3.12Å; A122-L125 WeakPolarHBondContact O-CB 3.46Å; A122-L125 PolarHBondContact O-N 3.16Å; L123-L125 VanDerWaalsContact C-N 3.34Å; L125-K127 PolarHBondContact O-N 2.9Å; L125-H128 WeakPolarHBondContact O-CB 3.26Å; L125-H128 PolarHBondContact O-N 2.86Å; L125-H128 VanDerWaalsContact O-N 3.13Å; L125-E129 PolarHBondContact O-N 3.38Å
126L82.9Confident84Confident80 Ų8065.7 Ų65.742%0.41932%0.32SS..Hα-helixtrans-63.9-40.4177.3-65.8173.8000112.1A122 L123 H128 E129 E130A122-L126 PolarHBondContact O-N 3.24Å; A122-L126 VanDerWaalsContact O-N 3.12Å; L123-L126 PolarHBondContact O-N 3.36Å; L126-H128 VanDerWaalsContact C-N 3.28Å; L126-H128 PolarHBondContact O-N 3.17Å; L126-E129 PolarHBondContact O-N 3.17Å; L126-E130 WeakPolarHBondContact O-CB 3.32Å; L126-E130 PolarHBondContact O-N 3.29Å
127K84.2Confident83.4Confident107 Ų10765.7 Ų65.747%0.46532%0.322SS..Hα-helixtrans-63-33.8172.7-74.4-168.8173.6-160.60112.7V26 L123 L125 I131V26-K127 HydrophobicContact CG1-CB 4.16Å; V26-K127 HydrophobicContact CG2-CB 4.27Å; L123-K127 WeakPolarHBondContact O-CG 3.49Å; L123-K127 PolarHBondContact O-N 3.15Å; L123-K127 VanDerWaalsContact O-N 3.08Å; L125-K127 PolarHBondContact O-N 2.9Å; K127-I131 WeakPolarHBondContact O-CD1 3.37Å; K127-I131 VanDerWaalsContact O-CG1 3.24Å; K127-I131 WeakPolarHBondContact O-CG1 3.1Å; K127-I131 PolarHBondContact O-N 2.91Å
128H82Confident82.8Confident19 Ų1965.8 Ų65.89%0.08832%0.323CS..Hα-helixtrans-66.4-45.5175.7172.671000111.4L23 V26 Q124 L125 L126 I131 L132 L169L23-H128 VanDerWaalsContact CD1-ND1 3.26Å; L23-H128 WeakPolarHBondContact CD1-ND1 3.07Å; V26-H128 HydrophobicContact CG1-CB 4.12Å; Q124-H128 WeakPolarHBondContact O-CB 3.46Å; Q124-H128 PolarHBondContact O-N 2.83Å; L125-H128 WeakPolarHBondContact O-CB 3.26Å; L125-H128 PolarHBondContact O-N 2.86Å; L125-H128 VanDerWaalsContact O-N 3.13Å; L126-H128 VanDerWaalsContact C-N 3.28Å; L126-H128 PolarHBondContact O-N 3.17Å; H128-I131 PolarHBondContact O-N 2.88Å; H128-L132 WeakPolarHBondContact O-CG 3.34Å; H128-L132 PolarHBondContact O-N 3.44Å; H128-L169 VanDerWaalsContact CE1-CD1 3.45Å; H128-L169 WeakPolarHBondContact CE1-CD1 3.46Å
129E81.4Confident82.1Confident100 Ų10068.4 Ų68.447%0.46733%0.329SS..Hα-helixtrans-62-41.8174-68174.6173.900112.1L125 L126 L132 L133L125-E129 PolarHBondContact O-N 3.38Å; L126-E129 PolarHBondContact O-N 3.17Å; E129-L132 PolarHBondContact O-N 2.99Å; E129-L133 WeakPolarHBondContact O-CG 3.47Å; E129-L133 PolarHBondContact O-N 3.24Å; E129-L133 VanDerWaalsContact O-N 3.07Å
130E82.4Confident81.4Confident131 Ų13164.6 Ų64.661%0.61231%0.313SS*.Hα-helixtrans-60.2-44.5176-176.6173.8-150.500112.6L126 L133 E134L126-E130 WeakPolarHBondContact O-CB 3.32Å; L126-E130 PolarHBondContact O-N 3.29Å; E130-L133 PolarHBondContact O-N 2.89Å; E130-E134 PolarHBondContact O-N 2.84Å
131I87.5Confident80.2Confident15 Ų1566.3 Ų66.38%0.07732%0.319CS..Hα-helixtrans-72.3-31178.3-62.8159.2000111.7T19 K22 L23 V26 K127 H128 L133 E134 I135T19-I131 WeakPolarHBondContact O-CG2 3.32Å; K22-I131 HydrophobicContact CB-CD1 3.83Å; K22-I131 HydrophobicContact CB-CG1 4.34Å; K22-I131 HydrophobicContact CB-CG2 4.27Å; L23-I131 HydrophobicContact CB-CG2 3.84Å; L23-I131 HydrophobicContact CD1-CB 4.03Å; L23-I131 HydrophobicContact CD1-CG2 3.88Å; L23-I131 HydrophobicContact CG-CG2 4.43Å; V26-I131 HydrophobicContact CB-CD1 4.35Å; V26-I131 HydrophobicContact CG2-CD1 3.71Å; K127-I131 WeakPolarHBondContact O-CD1 3.37Å; K127-I131 VanDerWaalsContact O-CG1 3.24Å; K127-I131 WeakPolarHBondContact O-CG1 3.1Å; K127-I131 PolarHBondContact O-N 2.91Å; H128-I131 PolarHBondContact O-N 2.88Å; I131-L133 VanDerWaalsContact C-N 3.33Å; I131-E134 PolarHBondContact O-N 2.85Å; I131-I135 HydrophobicContact CG2-CD1 4.11Å; I131-I135 WeakPolarHBondContact O-CG1 3.36Å; I131-I135 PolarHBondContact O-N 3.07Å
132L81.6Confident78.9Confident69 Ų6967 Ų6736%0.36132%0.324SS..Hα-helixtrans-63.1-40.2171.3-73.6176.1000111.5L23 H128 E129 I135 E136L23-L132 HydrophobicContact CD1-CD2 4.34Å; L23-L132 HydrophobicContact CD1-CG 4.35Å; L23-L132 HydrophobicContact CD2-CD2 4.14Å; H128-L132 WeakPolarHBondContact O-CG 3.34Å; H128-L132 PolarHBondContact O-N 3.44Å; E129-L132 PolarHBondContact O-N 2.99Å; L132-I135 PolarHBondContact O-N 3.13Å; L132-E136 PolarHBondContact O-N 2.93Å
133L80.4Confident77.3Confident109 Ų10970.5 Ų70.557%0.57133%0.33SS*.Hα-helixtrans-65.9-39.5172.6-68.3170.2000111.8E129 E130 I131 E136 D137E129-L133 WeakPolarHBondContact O-CG 3.47Å; E129-L133 PolarHBondContact O-N 3.24Å; E129-L133 VanDerWaalsContact O-N 3.07Å; E130-L133 PolarHBondContact O-N 2.89Å; I131-L133 VanDerWaalsContact C-N 3.33Å; L133-E136 PolarHBondContact O-N 3.04Å; L133-D137 WeakPolarHBondContact O-CB 3.47Å; L133-D137 PolarHBondContact O-N 3.18Å
134E83.2Confident75.4Confident60 Ų6073.6 Ų73.628%0.2835%0.347SS..Hα-helixtrans-60.4-45173.9-166.1-174-173.800111.7T19 K22 E130 I131 E136 D137 V138T19-E134 HydrophobicContact CG2-CG 3.85Å; T19-E134 WeakPolarHBondContact CG2-OE1 3.5Å; K22-E134 IonicContact NZ-OE1 3.79Å; K22-E134 PolarHBondContact NZ-OE1 3.48Å; K22-E134 IonicContact NZ-OE2 3.23Å; K22-E134 PolarHBondContact NZ-OE2 2.82Å; E130-E134 PolarHBondContact O-N 2.84Å; I131-E134 PolarHBondContact O-N 2.85Å; E134-E136 VanDerWaalsContact C-N 3.35Å; E134-E136 PolarHBondContact O-N 2.99Å; E134-D137 PolarHBondContact O-N 3.29Å; E134-V138 VanDerWaalsContact O-CG2 3.28Å; E134-V138 WeakPolarHBondContact O-CG2 3.37Å; E134-V138 PolarHBondContact O-N 3.43Å
135I81.5Confident73.5Confident12 Ų1280.7 Ų80.76%0.06238%0.38CS..Hα-helixtrans-59.6-44.5175.4-75.6164.5000111.2M16 T19 L20 L23 I131 L132 V138 R139 I162M16-I135 HydrophobicContact CE-CG2 4.27Å; M16-I135 HydrophobicContact SD-CB 4.5Å; M16-I135 HydrophobicContact SD-CG1 4.32Å; M16-I135 HydrophobicContact SD-CG2 3.91Å; T19-I135 WeakPolarHBondContact OG1-CG1 3.34Å; L20-I135 HydrophobicContact CD2-CD1 4Å; L23-I135 HydrophobicContact CB-CD1 4.45Å; L23-I135 HydrophobicContact CD2-CD1 3.76Å; I131-I135 HydrophobicContact CG2-CD1 4.11Å; I131-I135 WeakPolarHBondContact O-CG1 3.36Å; I131-I135 PolarHBondContact O-N 3.07Å; L132-I135 PolarHBondContact O-N 3.13Å; I135-V138 PolarHBondContact O-N 3.41Å; I135-R139 WeakPolarHBondContact O-CB 3.24Å; I135-R139 PolarHBondContact O-N 3.04Å; I135-I162 HydrophobicContact CG2-CD1 4.32Å
136E76.7Confident71.3Confident62 Ų6281.3 Ų81.329%0.2939%0.39SS..Hα-helixtrans-68.9-37.8179.4-152.9-176.9-139.200111.7L132 L133 E134 R139 K140L132-E136 PolarHBondContact O-N 2.93Å; L133-E136 PolarHBondContact O-N 3.04Å; E134-E136 VanDerWaalsContact C-N 3.35Å; E134-E136 PolarHBondContact O-N 2.99Å; E136-R139 CarbonylContact O-C 3.59Å; E136-R139 WeakPolarHBondContact O-CB 3.25Å; E136-R139 PolarHBondContact O-N 3.46Å; E136-K140 VanDerWaalsContact C-CE 3.48Å; E136-K140 VanDerWaalsContact O-CE 3.24Å; E136-K140 WeakPolarHBondContact O-CE 3.45Å; E136-K140 VanDerWaalsContact O-CG 3.3Å; E136-K140 WeakPolarHBondContact O-CG 3.24Å; E136-K140 PolarHBondContact O-N 2.91Å; E136-K140 IonicContact OE2-NZ 2.73Å; E136-K140 PolarHBondContact OE2-NZ 2.86Å
137D75.8Confident69Low62 Ų6285.1 Ų85.133%0.33241%0.411SS..Hα-helixtrans-65.9-38.1174.4-108.942.7000113.3L133 E134 R139 K140 R141L133-D137 WeakPolarHBondContact O-CB 3.47Å; L133-D137 PolarHBondContact O-N 3.18Å; E134-D137 PolarHBondContact O-N 3.29Å; D137-R139 VanDerWaalsContact C-N 3.31Å; D137-K140 PolarHBondContact O-N 3.27Å; D137-K140 WeakPolarHBondContact OD1-CD 3.42Å; D137-K140 IonicContact OD1-NZ 3.98Å; D137-K140 PolarHBondContact OD1-NZ 3.07Å; D137-R141 VanDerWaalsContact O-CG 3.26Å; D137-R141 WeakPolarHBondContact O-CG 3.3Å; D137-R141 PolarHBondContact O-N 3.03Å; D137-R141 VanDerWaalsContact O-N 3.1Å; D137-R141 IonicContact OD2-NH2 2.72Å; D137-R141 PolarHBondContact OD2-NH2 2.97Å
138V75.8Confident66.5Low4 Ų485.5 Ų85.52%0.02442%0.422CS..Hα-helixtrans-63.2-39.6171.4173.60000110.2Y12 Q15 M16 E134 I135 R141 S142Y12-V138 HydrophobicContact CD2-CG1 3.68Å; Y12-V138 HydrophobicContact CE2-CG1 3.75Å; Y12-V138 WeakPolarHBondContact CE2-O 3.47Å; Q15-V138 HydrophobicContact CB-CG1 4.39Å; Q15-V138 HydrophobicContact CG-CG1 4.21Å; Q15-V138 HydrophobicContact CG-CG2 3.98Å; M16-V138 HydrophobicContact CE-CB 4.27Å; M16-V138 HydrophobicContact CE-CG1 3.94Å; E134-V138 VanDerWaalsContact O-CG2 3.28Å; E134-V138 WeakPolarHBondContact O-CG2 3.37Å; E134-V138 PolarHBondContact O-N 3.43Å; I135-V138 PolarHBondContact O-N 3.41Å; V138-R141 PolarHBondContact O-N 2.94Å; V138-S142 PolarHBondContact O-N 2.86Å
139R72.5Confident64.1Low125 Ų12592.5 Ų92.547%0.47246%0.46SS..Hα-helixtrans-65.9-34.9174.5-176.4177.8176.3168.1-2.3113.8M16 I135 E136 D137 S142M16-R139 HydrophobicContact CE-CB 4.39Å; I135-R139 WeakPolarHBondContact O-CB 3.24Å; I135-R139 PolarHBondContact O-N 3.04Å; E136-R139 CarbonylContact O-C 3.59Å; E136-R139 WeakPolarHBondContact O-CB 3.25Å; E136-R139 PolarHBondContact O-N 3.46Å; D137-R139 VanDerWaalsContact C-N 3.31Å; R139-S142 PolarHBondContact O-OG 2.97Å
140K70.8Confident61.7Low54 Ų5496.1 Ų96.124%0.23548%0.477CS..Hα-helixtrans-65.8-40172.4-66.5158.2-143.1169.90111.3E136 D137 S142 F143 F234E136-K140 VanDerWaalsContact C-CE 3.48Å; E136-K140 VanDerWaalsContact O-CE 3.24Å; E136-K140 WeakPolarHBondContact O-CE 3.45Å; E136-K140 VanDerWaalsContact O-CG 3.3Å; E136-K140 WeakPolarHBondContact O-CG 3.24Å; E136-K140 PolarHBondContact O-N 2.91Å; E136-K140 IonicContact OE2-NZ 2.73Å; E136-K140 PolarHBondContact OE2-NZ 2.86Å; D137-K140 PolarHBondContact O-N 3.27Å; D137-K140 WeakPolarHBondContact OD1-CD 3.42Å; D137-K140 IonicContact OD1-NZ 3.98Å; D137-K140 PolarHBondContact OD1-NZ 3.07Å; K140-S142 VanDerWaalsContact C-N 3.35Å; K140-S142 PolarHBondContact O-N 3.35Å; K140-F143 PolarHBondContact O-N 2.86Å; K140-F234 HydrophobicContact CD-CE1 3.95Å; K140-F234 HydrophobicContact CD-CE2 4.01Å; K140-F234 HydrophobicContact CD-CZ 3.35Å; K140-F234 VanDerWaalsContact CE-CE2 3.47Å; K140-F234 HydrophobicContact CG-CE1 3.81Å; K140-F234 HydrophobicContact CG-CE2 4.12Å; K140-F234 HydrophobicContact CG-CZ 3.59Å
141R64.1Low59.4Low152 Ų15297 Ų9757%0.57449%0.486SS*.Hα-helixtrans-66.6-31.5-177.6-70.2168.7-157-147.45.3113.1D137 V138D137-R141 VanDerWaalsContact O-CG 3.26Å; D137-R141 WeakPolarHBondContact O-CG 3.3Å; D137-R141 PolarHBondContact O-N 3.03Å; D137-R141 VanDerWaalsContact O-N 3.1Å; D137-R141 IonicContact OD2-NH2 2.72Å; D137-R141 PolarHBondContact OD2-NH2 2.97Å; V138-R141 PolarHBondContact O-N 2.94Å
142S59.6Low56.9Low29 Ų29103.8 Ų103.820%0.20352%0.516CS..Hα-helixtrans-71.4-36.2175.354.90000113.7Y12 V138 R139 K140 N144 H145 S146Y12-S142 VanDerWaalsContact CE2-OG 3.28Å; Y12-S142 WeakPolarHBondContact CE2-OG 3.49Å; V138-S142 PolarHBondContact O-N 2.86Å; R139-S142 PolarHBondContact O-OG 2.97Å; K140-S142 VanDerWaalsContact C-N 3.35Å; K140-S142 PolarHBondContact O-N 3.35Å; S142-N144 PolarHBondContact O-N 3.03Å; S142-H145 PolarHBondContact O-N 2.9Å; S142-S146 PolarHBondContact O-N 2.88Å; S142-S146 PolarHBondContact O-OG 2.94Å
143F47.4Very low54.9Low126 Ų126106.2 Ų106.255%0.55353%0.53SS*.Hα-helixtrans-57.8-37.7175.5-104.5-93.2000112.5K140 H145 S146K140-F143 PolarHBondContact O-N 2.86Å; F143-H145 PolarHBondContact O-N 3.14Å; F143-S146 PolarHBondContact O-N 3.42Å
144N45.8Very low53.1Low140 Ų140105.4 Ų105.475%0.74953%0.526SS*.THydrogen-bonded Turntrans-75.17.1175.4-72.9-21.9000114.7S142S142-N144 PolarHBondContact O-N 3.03Å
145H45.8Very low51.4Low173 Ų173106.7 Ų106.780%0.80154%0.535SS*.THydrogen-bonded Turntrans-124.9-13.3173.2-98.736.3000114S142 F143 N147S142-H145 PolarHBondContact O-N 2.9Å; F143-H145 PolarHBondContact O-N 3.14Å; H145-N147 PolarHBondContact O-N 3.37Å
146S37Very low49.8Very low79 Ų79109.9 Ų109.955%0.55256%0.558SS**  trans-96.555.6-179.361.70000113.2S142 F143S142-S146 PolarHBondContact O-N 2.88Å; S142-S146 PolarHBondContact O-OG 2.94Å; F143-S146 PolarHBondContact O-N 3.42Å
147N34Very low48.5Very low160 Ų160109.9 Ų109.986%0.85657%0.565SS**  trans-106.223.1173.5-142.31.5000113.3H145H145-N147 PolarHBondContact O-N 3.37Å
148T31.7Very low47.8Very low115 Ų115108.1 Ų108.171%0.70656%0.556SS**SBendtrans-146.1129.9167.452.20000110.8
149N31.7Very low46.9Very low166 Ų166111.4 Ų111.489%0.88857%0.572SS**  trans69.1135.8170.8-61-23.4000118.7
150H31.6Very low46.3Very low176 Ų176109.5 Ų109.582%0.81557%0.574SS**  trans-70.2137.6174.7-68.5-51.8000112.9
151N33.4Very low45.9Very low150 Ų150109.8 Ų109.880%0.80258%0.581SS**  trans-156.899.7145.8-117.2-27.7000110.4N153N151-N153 PolarHBondContact O-N 2.74Å
152H34.5Very low45.8Very low156 Ų156104.1 Ų104.172%0.72256%0.562SS**  trans-84.3-4.7-164.2-120.2-54.6000115.7
153N39.1Very low45.8Very low120 Ų120106.6 Ų106.664%0.64257%0.573SS**SBendtrans-88.2-27.3-160.6-69.1-10.8000115.7N151 N155 S156N151-N153 PolarHBondContact O-N 2.74Å; N153-N155 PolarHBondContact O-N 3.1Å; N153-S156 PolarHBondContact O-OG 2.93Å
154N43.1Very low46.6Very low93 Ų93103.9 Ų103.950%0.49757%0.567SS.*THydrogen-bonded Turntrans-77.5-14.2-171.1-71.636.4000114.7S156 S157N154-S156 VanDerWaalsContact C-N 3.25Å; N154-S156 PolarHBondContact O-N 3.38Å; N154-S157 PolarHBondContact O-OG 2.73Å
155N47.3Very low47.5Very low86 Ų8697.9 Ų97.946%0.4653%0.534SS..Hα-helixtrans-71.5-17.9179.4-77.8-18.9000113.7N153 I159N153-N155 PolarHBondContact O-N 3.1Å; N155-I159 HydrophobicContact CB-CD1 4.46Å; N155-I159 WeakPolarHBondContact O-CB 3.31Å; N155-I159 WeakPolarHBondContact O-CD1 3.48Å; N155-I159 VanDerWaalsContact O-CG1 3.23Å; N155-I159 WeakPolarHBondContact O-CG1 3.28Å; N155-I159 PolarHBondContact O-N 2.68Å
156S47.8Very low48.1Very low79 Ų7995.6 Ų95.655%0.55252%0.522SS*.Hα-helixtrans-68.4-43.6-175.259.50000113.6N153 N154 T160N153-S156 PolarHBondContact O-OG 2.93Å; N154-S156 VanDerWaalsContact C-N 3.25Å; N154-S156 PolarHBondContact O-N 3.38Å; S156-T160 WeakPolarHBondContact O-CB 3.41Å; S156-T160 PolarHBondContact O-N 3.5Å; S156-T160 PolarHBondContact O-OG1 3.11Å
157S50.4Low49.1Very low63 Ų6396.6 Ų96.644%0.44152%0.521SS..Hα-helixtrans-67.3-43-179.153.40000112.3N154 T160 T161N154-S157 PolarHBondContact O-OG 2.73Å; S157-T160 PolarHBondContact O-N 3.38Å; S157-T161 WeakPolarHBondContact O-CB 3.37Å; S157-T161 PolarHBondContact O-N 2.97Å; S157-T161 PolarHBondContact O-OG1 3.11Å
158I59.7Low50.4Low25 Ų2592.5 Ų92.513%0.12850%0.497CS..Hα-helixtrans-64.1-45.3178.2-60.8171.9000110.2Y12 M16 T160 T161 I162Y12-I158 HydrophobicContact CE1-CD1 4.23Å; M16-I158 HydrophobicContact CG-CD1 4.34Å; M16-I158 HydrophobicContact CG-CG2 4.11Å; M16-I158 HydrophobicContact SD-CG2 4.42Å; I158-T160 PolarHBondContact O-N 3.12Å; I158-T161 PolarHBondContact O-N 3.4Å; I158-I162 HydrophobicContact CG2-CD1 3.95Å; I158-I162 WeakPolarHBondContact O-CG1 3.21Å; I158-I162 PolarHBondContact O-N 2.84Å
159I58.4Low51.5Low73 Ų7388.1 Ų88.137%0.37447%0.469SS..Hα-helixtrans-63.8-40.7176.2-68.7170.9000111.2N155 T161 I162 N163N155-I159 HydrophobicContact CB-CD1 4.46Å; N155-I159 WeakPolarHBondContact O-CB 3.31Å; N155-I159 WeakPolarHBondContact O-CD1 3.48Å; N155-I159 VanDerWaalsContact O-CG1 3.23Å; N155-I159 WeakPolarHBondContact O-CG1 3.28Å; N155-I159 PolarHBondContact O-N 2.68Å; I159-T161 VanDerWaalsContact C-N 3.32Å; I159-T161 PolarHBondContact O-N 3.23Å; I159-I162 PolarHBondContact O-N 2.85Å; I159-N163 WeakPolarHBondContact O-CB 3.38Å; I159-N163 PolarHBondContact O-N 2.8Å; I159-N163 PolarHBondContact O-ND2 2.92Å
160T58.8Low52.5Low84 Ų8485.2 Ų85.252%0.51545%0.454SS..Hα-helixtrans-63.9-38.1175.6-57.30000111.5S156 S157 I158 T164S156-T160 WeakPolarHBondContact O-CB 3.41Å; S156-T160 PolarHBondContact O-N 3.5Å; S156-T160 PolarHBondContact O-OG1 3.11Å; S157-T160 PolarHBondContact O-N 3.38Å; I158-T160 PolarHBondContact O-N 3.12Å; T160-T164 WeakPolarHBondContact O-CB 3.41Å; T160-T164 PolarHBondContact O-N 2.84Å; T160-T164 PolarHBondContact O-OG1 2.88Å
161T63.3Low53.6Low60 Ų6082 Ų8237%0.36844%0.443SS..Hα-helixtrans-67.4-48177.7-560000111L20 S157 I158 I159 N163 T164 I165L20-T161 HydrophobicContact CD1-CG2 4.19Å; L20-T161 HydrophobicContact CD2-CG2 4.45Å; S157-T161 WeakPolarHBondContact O-CB 3.37Å; S157-T161 PolarHBondContact O-N 2.97Å; S157-T161 PolarHBondContact O-OG1 3.11Å; I158-T161 PolarHBondContact O-N 3.4Å; I159-T161 VanDerWaalsContact C-N 3.32Å; I159-T161 PolarHBondContact O-N 3.23Å; T161-N163 VanDerWaalsContact C-N 3.34Å; T161-N163 PolarHBondContact O-N 3.02Å; T161-T164 WeakPolarHBondContact O-CB 3.41Å; T161-T164 PolarHBondContact O-N 3.13Å; T161-T164 VanDerWaalsContact O-N 3.17Å; T161-I165 HydrophobicContact CG2-CD1 4.07Å; T161-I165 WeakPolarHBondContact O-CG1 3.43Å; T161-I165 PolarHBondContact O-N 3.41Å
162I62.6Low54.6Low34 Ų3475.1 Ų75.117%0.17441%0.405CS..Hα-helixtrans-58.6-44.8175.6-69.5168.4000111.1L20 I135 I158 I159 T164 I165 K166L20-I162 HydrophobicContact CD2-CG1 4.12Å; I135-I162 HydrophobicContact CG2-CD1 4.32Å; I158-I162 HydrophobicContact CG2-CD1 3.95Å; I158-I162 WeakPolarHBondContact O-CG1 3.21Å; I158-I162 PolarHBondContact O-N 2.84Å; I159-I162 PolarHBondContact O-N 2.85Å; I162-T164 VanDerWaalsContact C-N 3.34Å; I162-T164 PolarHBondContact O-N 2.81Å; I162-I165 PolarHBondContact O-N 2.94Å; I162-K166 WeakPolarHBondContact O-CG 3.28Å; I162-K166 PolarHBondContact O-N 3.38Å
163N58.1Low55.2Low80 Ų8070.8 Ų70.843%0.42839%0.388SS..Hα-helixtrans-67.7-33.6178.2-70.3-11.4000112.3I159 T161 K166 N167I159-N163 WeakPolarHBondContact O-CB 3.38Å; I159-N163 PolarHBondContact O-N 2.8Å; I159-N163 PolarHBondContact O-ND2 2.92Å; T161-N163 VanDerWaalsContact C-N 3.34Å; T161-N163 PolarHBondContact O-N 3.02Å; N163-K166 PolarHBondContact O-N 2.92Å; N163-N167 VanDerWaalsContact O-CG 3.27Å; N163-N167 PolarHBondContact O-N 3.31Å; N163-N167 PolarHBondContact O-ND2 3.22Å
164T64.8Low55.6Low70 Ų7067.9 Ų67.943%0.42938%0.377SS..Hα-helixtrans-65.2-42.7174.3-56.60000111T160 T161 I162 N167 Q168T160-T164 WeakPolarHBondContact O-CB 3.41Å; T160-T164 PolarHBondContact O-N 2.84Å; T160-T164 PolarHBondContact O-OG1 2.88Å; T161-T164 WeakPolarHBondContact O-CB 3.41Å; T161-T164 PolarHBondContact O-N 3.13Å; T161-T164 VanDerWaalsContact O-N 3.17Å; I162-T164 VanDerWaalsContact C-N 3.34Å; I162-T164 PolarHBondContact O-N 2.81Å; T164-N167 PolarHBondContact O-N 2.81Å; T164-Q168 WeakPolarHBondContact O-CG 3.18Å; T164-Q168 PolarHBondContact O-N 3.22Å; T164-Q168 VanDerWaalsContact O-N 3.08Å
165I63.5Low55.8Low14 Ų1468.2 Ų68.27%0.07238%0.378CS..Hα-helixtrans-67.6-39.9176.2-65.8168.1000111L20 L23 I27 T161 I162 N167 Q168 L169L20-I165 HydrophobicContact CD2-CD1 4.07Å; L23-I165 HydrophobicContact CD2-CD1 4.19Å; L23-I165 HydrophobicContact CD2-CG2 3.87Å; L23-I165 HydrophobicContact CG-CG2 4.36Å; I27-I165 HydrophobicContact CD1-CG2 3.46Å; I27-I165 VanDerWaalsContact CD1-CG2 3.46Å; T161-I165 HydrophobicContact CG2-CD1 4.07Å; T161-I165 WeakPolarHBondContact O-CG1 3.43Å; T161-I165 PolarHBondContact O-N 3.41Å; I162-I165 PolarHBondContact O-N 2.94Å; I165-N167 VanDerWaalsContact C-N 3.33Å; I165-N167 PolarHBondContact O-N 2.84Å; I165-Q168 PolarHBondContact O-N 3.04Å; I165-L169 HydrophobicContact CG2-CD1 4.38Å; I165-L169 WeakPolarHBondContact O-CD1 3.29Å; I165-L169 PolarHBondContact O-N 2.85Å
166K58.7Low55.6Low124 Ų12466.3 Ų66.354%0.53937%0.367SS..Hα-helixtrans-58.4-42.4171.5-77.3-173.1173.6-166.60112.2I162 N163 L169I162-K166 WeakPolarHBondContact O-CG 3.28Å; I162-K166 PolarHBondContact O-N 3.38Å; N163-K166 PolarHBondContact O-N 2.92Å; K166-L169 PolarHBondContact O-N 3.34Å
167N59.5Low55.1Low101 Ų10169.2 Ų69.254%0.5437%0.372SS..Hα-helixtrans-64.3-41.8176.7-70.7-15.7000112.2N163 T164 I165 L169 N170N163-N167 VanDerWaalsContact O-CG 3.27Å; N163-N167 PolarHBondContact O-N 3.31Å; N163-N167 PolarHBondContact O-ND2 3.22Å; T164-N167 PolarHBondContact O-N 2.81Å; I165-N167 VanDerWaalsContact C-N 3.33Å; I165-N167 PolarHBondContact O-N 2.84Å; N167-L169 PolarHBondContact O-N 3.21Å; N167-L169 VanDerWaalsContact O-N 3.17Å; N167-N170 PolarHBondContact O-N 2.89Å
168Q60.8Low54.4Low73 Ų7372.4 Ų72.434%0.34138%0.384SS..Hα-helixtrans-61.4-21175.5-72.7176.4-7.400114T164 I165 I172T164-Q168 WeakPolarHBondContact O-CG 3.18Å; T164-Q168 PolarHBondContact O-N 3.22Å; T164-Q168 VanDerWaalsContact O-N 3.08Å; I165-Q168 PolarHBondContact O-N 3.04Å; Q168-I172 WeakPolarHBondContact O-CD1 3.21Å; Q168-I172 WeakPolarHBondContact O-CG1 3.38Å
169L54.5Low53.1Low23 Ų2373.5 Ų73.512%0.1239%0.394CS..Hα-helixtrans-79.8-34.5176.3-73.8152.6000112.7I27 H128 I165 K166 N167 D171 I172 D173I27-L169 HydrophobicContact CD1-CD1 4.24Å; I27-L169 HydrophobicContact CD1-CD2 4.26Å; I27-L169 HydrophobicContact CD1-CG 4.31Å; I27-L169 HydrophobicContact CG1-CD2 4.32Å; H128-L169 VanDerWaalsContact CE1-CD1 3.45Å; H128-L169 WeakPolarHBondContact CE1-CD1 3.46Å; I165-L169 HydrophobicContact CG2-CD1 4.38Å; I165-L169 WeakPolarHBondContact O-CD1 3.29Å; I165-L169 PolarHBondContact O-N 2.85Å; K166-L169 PolarHBondContact O-N 3.34Å; N167-L169 PolarHBondContact O-N 3.21Å; N167-L169 VanDerWaalsContact O-N 3.17Å; L169-D171 VanDerWaalsContact C-N 3.26Å; L169-D171 PolarHBondContact O-N 3.11Å; L169-I172 HydrophobicContact CD2-CD1 4.3Å; L169-I172 WeakPolarHBondContact O-CB 3.27Å; L169-I172 PolarHBondContact O-N 2.96Å; L169-D173 PolarHBondContact O-N 2.79Å; L169-D173 VanDerWaalsContact O-N 3.17Å
170N51.8Low51.8Low106 Ų10674.7 Ų74.757%0.56741%0.408SS*.Hα-helixtrans-61.8-35.9175.9-65.7-30.7000111.9N167 I172 S174N167-N170 PolarHBondContact O-N 2.89Å; N170-I172 VanDerWaalsContact C-N 3.33Å; N170-S174 PolarHBondContact O-N 2.82Å; N170-S174 PolarHBondContact O-OG 2.87Å
171D55.1Low50.2Low109 Ų10974.9 Ų74.958%0.58341%0.413SS*.Hα-helixtrans-66.9-32.8174.2-64.8-32.3000112.2L169 S174 I175L169-D171 VanDerWaalsContact C-N 3.26Å; L169-D171 PolarHBondContact O-N 3.11Å; D171-S174 WeakPolarHBondContact O-CB 3.24Å; D171-I175 PolarHBondContact O-N 2.86Å
172I54.8Low48.5Very low4 Ų476.8 Ų76.82%0.02143%0.425CS..Hα-helixtrans-72.3-44.9-179.7-65.9166.6000111.4I27 Q31 L34 Q168 L169 N170 S174 I175 N176I27-I172 HydrophobicContact CG2-CD1 3.84Å; Q31-I172 HydrophobicContact CG-CD1 3.71Å; Q31-I172 HydrophobicContact CG-CG1 3.96Å; L34-I172 HydrophobicContact CD1-CG2 3.66Å; Q168-I172 WeakPolarHBondContact O-CD1 3.21Å; Q168-I172 WeakPolarHBondContact O-CG1 3.38Å; L169-I172 HydrophobicContact CD2-CD1 4.3Å; L169-I172 WeakPolarHBondContact O-CB 3.27Å; L169-I172 PolarHBondContact O-N 2.96Å; N170-I172 VanDerWaalsContact C-N 3.33Å; I172-S174 PolarHBondContact O-N 2.89Å; I172-I175 WeakPolarHBondContact O-CB 3.46Å; I172-I175 PolarHBondContact O-N 3.03Å; I172-N176 PolarHBondContact O-N 2.88Å
173D47.9Very low46.7Very low66 Ų6680.3 Ų80.335%0.35345%0.453SS..Hα-helixtrans-75.8-14.2180-69.3-44.1000112.8R30 L169 N176 Q177R30-D173 IonicContact CZ-OD1 2.86Å; R30-D173 IonicContact NH1-OD1 2.6Å; R30-D173 IonicContact NH1-OD2 3.82Å; R30-D173 IonicContact NH2-OD1 3.75Å; R30-D173 PolarHBondContact NH2-OD1 3.25Å; R30-D173 IonicContact NH2-OD2 2.82Å; L169-D173 PolarHBondContact O-N 2.79Å; L169-D173 VanDerWaalsContact O-N 3.17Å; D173-N176 PolarHBondContact O-N 2.87Å; D173-N176 PolarHBondContact OD1-ND2 3.12Å; D173-Q177 PolarHBondContact O-N 2.78Å
174S46.5Very low45.1Very low59 Ų5981.8 Ų81.841%0.41347%0.468SS..Hα-helixtrans-66.4-35.6162.8-59.10000112.5N170 D171 I172 N176 Q177 L178N170-S174 PolarHBondContact O-N 2.82Å; N170-S174 PolarHBondContact O-OG 2.87Å; D171-S174 WeakPolarHBondContact O-CB 3.24Å; I172-S174 PolarHBondContact O-N 2.89Å; S174-N176 VanDerWaalsContact C-N 3.34Å; S174-Q177 PolarHBondContact O-N 2.55Å; S174-L178 PolarHBondContact O-N 3.37Å
175I47.3Very low43.3Very low100 Ų10086.2 Ų86.251%0.51349%0.488SS..Hα-helixtrans-67.4-35.7173.6-61.5168.2000110.9D171 I172 Q177 L178 S179D171-I175 PolarHBondContact O-N 2.86Å; I172-I175 WeakPolarHBondContact O-CB 3.46Å; I172-I175 PolarHBondContact O-N 3.03Å; I175-Q177 PolarHBondContact O-N 2.96Å; I175-L178 PolarHBondContact O-N 2.87Å; I175-S179 PolarHBondContact O-N 3.05Å
176N42.4Very low41.5Very low45 Ų4591.8 Ų91.824%0.24152%0.517CS..Hα-helixtrans-61-43173.9-81.4-45.1000111.8I172 D173 S174 S179I172-N176 PolarHBondContact O-N 2.88Å; D173-N176 PolarHBondContact O-N 2.87Å; D173-N176 PolarHBondContact OD1-ND2 3.12Å; S174-N176 VanDerWaalsContact C-N 3.34Å; N176-S179 WeakPolarHBondContact O-CB 3.36Å; N176-S179 PolarHBondContact O-N 3.19Å; N176-S179 PolarHBondContact O-OG 2.99Å
177Q38.7Very low39.9Very low140 Ų14093.4 Ų93.465%0.65453%0.531SS*.Hα-helixtrans-64-40177.3-68.5179.750.600112.6D173 S174 I175 S179 S180D173-Q177 PolarHBondContact O-N 2.78Å; S174-Q177 PolarHBondContact O-N 2.55Å; I175-Q177 PolarHBondContact O-N 2.96Å; Q177-S179 PolarHBondContact O-N 2.88Å; Q177-S180 VanDerWaalsContact O-CB 3.31Å; Q177-S180 WeakPolarHBondContact O-CB 3.22Å; Q177-S180 PolarHBondContact O-N 3.39Å; Q177-S180 PolarHBondContact O-OG 2.83Å
178L36Very low38.4Very low131 Ų13196.5 Ų96.569%0.68655%0.548SS*.Hα-helixtrans-63.9-24.2175.4-72.8166.6000113.4S174 I175 S180 S181S174-L178 PolarHBondContact O-N 3.37Å; I175-L178 PolarHBondContact O-N 2.87Å; L178-S180 PolarHBondContact O-N 2.85Å; L178-S180 VanDerWaalsContact O-N 3.07Å; L178-S181 PolarHBondContact O-N 3.02Å
179S31.9Very low36.8Very low48 Ų48100.9 Ų100.934%0.33657%0.568SS.*THydrogen-bonded Turntrans-71.24.2175.381.10000115I175 N176 Q177I175-S179 PolarHBondContact O-N 3.05Å; N176-S179 WeakPolarHBondContact O-CB 3.36Å; N176-S179 PolarHBondContact O-N 3.19Å; N176-S179 PolarHBondContact O-OG 2.99Å; Q177-S179 PolarHBondContact O-N 2.88Å
180S31Very low35.4Very low97 Ų97106.8 Ų106.868%0.67860%0.6SS**THydrogen-bonded Turntrans-94.9-10.5175.4-34.40000113.9Q177 L178Q177-S180 VanDerWaalsContact O-CB 3.31Å; Q177-S180 WeakPolarHBondContact O-CB 3.22Å; Q177-S180 PolarHBondContact O-N 3.39Å; Q177-S180 PolarHBondContact O-OG 2.83Å; L178-S180 PolarHBondContact O-N 2.85Å; L178-S180 VanDerWaalsContact O-N 3.07Å
181S25.7Very low34.1Very low88 Ų88109.8 Ų109.862%0.61561%0.61SS**  trans-135.555.2-159.8-58.30000114L178 S183L178-S181 PolarHBondContact O-N 3.02Å; S181-S183 VanDerWaalsContact C-N 3.34Å; S181-S183 PolarHBondContact O-N 3.15Å
182T27.4Very low32.9Very low100 Ų100111.8 Ų111.861%0.61362%0.621SS**  trans-78.470.6-18038.10000113.7
183S24.6Very low31.4Very low109 Ų109119.6 Ų119.676%0.76266%0.658SS**SBendtrans-144.427.8175.5-1640000116.6S181S181-S183 VanDerWaalsContact C-N 3.34Å; S181-S183 PolarHBondContact O-N 3.15Å
184C24.8Very low30.4Very low110 Ų110122.8 Ų122.874%0.74368%0.675SS**SBendtrans-157.8168.2161.956.60000112.3
185L25.7Very low29.5Very low164 Ų164126.1 Ų126.186%0.85969%0.688SS**  trans68.942.1168.7-56.5178.7000119.3
186I26.7Very low28.6Very low131 Ų131128.5 Ų128.567%0.67270%0.697SS**  trans-133.491.5136.1-54-179.5000108.9
187N25.7Very low27.8Very low157 Ų157132.4 Ų132.484%0.8472%0.718SS**  trans-151.274.9158.7-145.217.8000110.6
188N27.6Very low27.2Very low167 Ų167132 Ų13289%0.89372%0.72SS**  trans-170.288.6161.5-101.1-26.2000108
189Q26.4Very low26.7Very low164 Ų164134.6 Ų134.677%0.76673%0.726SS**  trans-104.9152.6161.1-77.4-167.8-51.600108.8
190N25.1Very low26.6Very low148 Ų148138.9 Ų138.979%0.79175%0.75SS**  trans66.5108.7174.1-45.8-32.6000113.1
191Q26Very low26.1Very low168 Ų168145.4 Ų145.479%0.78576%0.761SS**  -149.8165.269.5-71.7-155.8-6.500115.6
192N28.9Very low26.1Very low151 Ų151144.7 Ų144.781%0.80777%0.768SS**  trans76.5149.5157.8-63.6-35.9000119.3
193Q23.8Very low26.1Very low169 Ų169151.1 Ų151.179%0.7978%0.781SS**  trans-120.1170.7-166.7-61.1174-12.400111.2
194N25.5Very low26.1Very low133 Ų133152.6 Ų152.671%0.71178%0.78SS**  trans91.9137152.4-58.6-47.2000121
195N29.1Very low26.1Very low129 Ų129154.9 Ų154.969%0.6978%0.784SS**  trans86.497.9149.8-71.3-38.3000123.2
196Q27.7Very low26.2Very low149 Ų149156.2 Ų156.270%0.69679%0.785SS**  76.9117.8117.5-68.5-17558.700123.2
197N24.6Very low26.2Very low127 Ų127155.9 Ų155.968%0.67980%0.795SS**  49.1103.7126.2-55-32.1000120.8
198N27.2Very low26.1Very low133 Ų133151.3 Ų151.371%0.71179%0.785SS**  169.3155.6101.3-95.6-74.6000113.9
199K25.6Very low26.1Very low185 Ų185151.8 Ų151.880%0.80478%0.781SS**  trans20.5140142.2-56.5174.6-174179.30118.7
200V28.7Very low26.1Very low138 Ų138150.7 Ų150.784%0.83678%0.776SS**  -163148.381.8144.70000112.9
201Y22.1Very low26.2Very low233 Ų233151.2 Ų151.291%0.91477%0.774SS**  trans-77.7144.9168.4-99.8-106.6000111.5
202G24.9Very low26Very low74 Ų74150 Ų15076%0.76377%0.768SS**  trans-74.3163.9-165.800000118.7
203R27Very low25.7Very low234 Ų234149.7 Ų149.788%0.88376%0.762SS**  trans-162.8153.1166.8-96.2-164.4178.9-172.70.6107.4
204L25.9Very low25.9Very low141 Ų141148 Ų14874%0.73875%0.754SS**  cis-160.7161.2-15.2-172.263.4000108.1Q206L204-Q206 PolarHBondContact O-N 3.41Å
205L24.8Very low25.9Very low158 Ų158148.4 Ų148.483%0.82775%0.751SS**  trans-71119.2168.2-78.1157000112.4
206Q26.9Very low25.8Very low191 Ų191149.3 Ų149.389%0.89375%0.751SS**  trans-179.2138.7149.9-101.8163.50.500106.8L204L204-Q206 PolarHBondContact O-N 3.41Å
207S27Very low25.8Very low124 Ų124150.8 Ų150.887%0.86776%0.756SS**  cis-122.6-179.230.456.40000115
208G24.2Very low26Very low61 Ų61151.8 Ų151.863%0.62976%0.76SS**  trans-163.8178.8171.300000110.7
209Q26.1Very low26Very low177 Ų177154 Ų15483%0.82776%0.763SS**  trans71.5144-166.7-54.9-170.611.300113.1
210Q27.3Very low26Very low142 Ų142152.9 Ų152.966%0.66476%0.761SS**  cis-137.8146.95.1-116151.753.400108.4
211Q26.2Very low25.8Very low158 Ų158152.4 Ų152.474%0.73875%0.753SS**  47.2139.1101.3-67.5-175.6-1.500116.1
212Q22.8Very low26.1Very low142 Ų142148.5 Ų148.566%0.66475%0.748SS**  cis-170.5174.3-14.7-129.7-177.438.300108.1
213Q23.2Very low26.2Very low145 Ų145153 Ų15368%0.67875%0.753SS**  trans55.7112150.8-74.7-172.959.600118.4
214H28.2Very low26.1Very low134 Ų134150.7 Ų150.762%0.6275%0.753SS**  -166.2139.973.9-112.637.4000111.9
215Q24Very low26.1Very low141 Ų141148.9 Ų148.966%0.65975%0.752SS**  50.2146.7124.4-57.4-18011.200121
216H27.7Very low26.2Very low149 Ų149146.3 Ų146.369%0.6974%0.743SS**  cis-161.2160.914.1-140.1-58.5000112.3
217K28.6Very low26.1Very low180 Ų180149.1 Ų149.178%0.78375%0.747SS**  trans74.2135.5163.9-64.8174.4-179.3175.10115.9
218L28.4Very low26Very low148 Ų148151.2 Ų151.278%0.77574%0.743SS**  cis-132.3138.4-5.4-79.4118.6000108
219K26.7Very low26Very low178 Ų178156.8 Ų156.877%0.77476%0.755SS**  53.310986.9-74.8-160.1172.2-161.60113.7
220H24.6Very low25.9Very low162 Ų162156.1 Ų156.175%0.7576%0.757SS**  71.7128.790-88.5-92.8000111.4
221D26.5Very low25.7Very low128 Ų128154.9 Ų154.968%0.68476%0.764SS**  cis-138.117820-71.6-69000114.1
222D26.6Very low25.6Very low152 Ų152155.1 Ų155.181%0.81377%0.769SS**  trans53.9102.2159.9-60.3-20.2000121.5
223I28.7Very low25.7Very low169 Ų169154.2 Ų154.287%0.86777%0.769SS**  -160132.498.3-93.7158.1000108.7
224Q23.2Very low25.8Very low185 Ų185152.9 Ų152.986%0.86476%0.76SS**  trans-143.6150.3179.4-169.1171.4-1.600108.4
225S26.3Very low25.7Very low103 Ų103152 Ų15272%0.7276%0.761SS**  trans67.4143.9-172.279.20000115.4
226T26.5Very low25.6Very low104 Ų104150.3 Ų150.364%0.63876%0.764SS**  cis-153.3144.2-19.58.70000109E228T226-E228 HydrophobicContact CG2-CG 4.07Å
227Y25.3Very low25.5Very low250 Ų250149.3 Ų149.398%0.9877%0.774SS**  trans-130.487.4153.7-98.8-80.8000106.8
228E24.8Very low25.4Very low167 Ų167145.7 Ų145.778%0.7878%0.778SS**  trans-109129.6168.8-69.6-176.7133.900108.2T226T226-E228 HydrophobicContact CG2-CG 4.07Å
229M23.8Very low25.2Very low179 Ų179148.1 Ų148.188%0.88279%0.787SS**  trans-17065.9157.9-108.2-66.2-85.600108.7
230D23.9Very low25.1Very low162 Ų162142.8 Ų142.887%0.86678%0.783SS**  trans-150.549.2177.5-145.99.2000111.8
231S23.5Very low25.1Very low117 Ų117142.3 Ų142.382%0.81879%0.785SS**  trans-164.184.7174.7-80.10000113.1
232L25Very low25.1Very low162 Ų162144.8 Ų144.885%0.84880%0.796SS**  trans-150.783.4159.8-84.8-171000111.6
233L24Very low25Very low124 Ų124145.5 Ų145.565%0.64979%0.794SS**  trans-158.5133.1157.2-107.7154.1000108.6
234F25.6Very low25Very low116 Ų116145.4 Ų145.451%0.50980%0.795SS.*  trans68.2144.4-170.1-59.7-77.9000114.5K140K140-F234 HydrophobicContact CD-CE1 3.95Å; K140-F234 HydrophobicContact CD-CE2 4.01Å; K140-F234 HydrophobicContact CD-CZ 3.35Å; K140-F234 VanDerWaalsContact CE-CE2 3.47Å; K140-F234 HydrophobicContact CG-CE1 3.81Å; K140-F234 HydrophobicContact CG-CE2 4.12Å; K140-F234 HydrophobicContact CG-CZ 3.59Å
235D25.6Very low25.1Very low117 Ų117142.2 Ų142.263%0.62678%0.783SS**  cis-133.5-178.617.9-120.7-42.9000115.1
236S23.1Very low25.2Very low105 Ų105144.7 Ų144.773%0.73478%0.781SS**  trans-141.6133.3166-800000113.6
237S24.3Very low25.2Very low127 Ų127147.1 Ų147.189%0.88879%0.786SS**  trans68.9114.1169.4700000118.7
238A27.9Very low25.3Very low105 Ų105142.3 Ų142.387%0.86877%0.774SS**  trans-139.5128.8143.900000108.6
239M23.9Very low25.5Very low198 Ų198140.5 Ų140.598%0.97577%0.774SS**  trans-93.4153.3168.4-82.7-96-71.300109.2
240G24.4Very low25.5Very low66 Ų66138.2 Ų138.268%0.6877%0.771SS**  trans125.474.8155.600000117.9
241I23.9Very low25.8Very low153 Ų153137.4 Ų137.479%0.78577%0.771SS**  trans38.7115.7131.4-52166.7000118E243I241-E243 HydrophobicContact CG2-CB 4.18Å
242I27.8Very low25.8Very low179 Ų179137.2 Ų137.292%0.91877%0.766SS**  trans-122.2141.7130.2-67.1-175.5000107.5
243E24Very low26Very low167 Ų167136.4 Ų136.478%0.7876%0.762SS**  trans-121.7137.5-167.1172.6179.3-131.200110.2I241I241-E243 HydrophobicContact CG2-CB 4.18Å
244L28Very low26.1Very low168 Ų168136.7 Ų136.788%0.8876%0.764SS**  trans-157.884.6163.9-109.3176.1000111.6
245D24.8Very low26.3Very low117 Ų117138.9 Ų138.963%0.62678%0.781SS**  30121.1128.2-154.428.1000116.7
246K29.3Very low26.4Very low156 Ų156141.8 Ų141.868%0.67879%0.788SS**  -168.814769.6-89.1174.8-174.6168.80115.5
247Q27.5Very low26.4Very low155 Ų155145.4 Ų145.472%0.72479%0.794SS**  trans67.5144.9150.4-65169.412.700117.6
248M26.8Very low26.5Very low149 Ų149146.4 Ų146.473%0.73479%0.794SS**  cis-154.6156.9-0.6-128.9176.2-170.500113.4
249T29.4Very low26.3Very low129 Ų129151.1 Ų151.179%0.79180%0.795SS**  trans55.4111.2155.650.20000121.5
250T23.5Very low26.4Very low131 Ų131145.1 Ų145.180%0.80478%0.784SS**  trans-67.2154.2157.451.10000114.2
251T29.3Very low26.4Very low144 Ų144152.5 Ų152.588%0.88379%0.791SS**  trans-149.4137.9133.5-50.80000110.5
252T24.7Very low26.5Very low114 Ų114151.5 Ų151.570%0.69979%0.787SS**  trans-103.9147.3175.9470000110.9
253N29.1Very low26.4Very low145 Ų145153.6 Ų153.678%0.77579%0.79SS**  trans-167.6124.4132.3-107.9-46.1000116.2
254N25.4Very low26.4Very low129 Ų129154.2 Ų154.269%0.6979%0.785SS**  trans-5.3136.3150.8-56.2-75.1000120.3
255N28.9Very low26.2Very low162 Ų162151.7 Ų151.787%0.86678%0.781SS**  -159.6175.8113.6-109.3-48.2000114.2
256K27.8Very low26.3Very low178 Ų178149.8 Ų149.877%0.77477%0.771SS**  trans-102.2154-156.8-66.6173.3179.4170.40116
257Q23.3Very low26.4Very low182 Ų182149.1 Ų149.185%0.8578%0.781SS**  trans50.9109.1145.5-72.6179.8-20.200120.1
258V26.7Very low26.2Very low148 Ų148147.9 Ų147.990%0.89778%0.779SS**  -138.8150.8129.9-176.10000108.3
259K24.2Very low26.4Very low204 Ų204148 Ų14889%0.88778%0.782SS**  trans-68127.5170.2-65.5174.3-179.7173.20109.7
260G25.1Very low26.3Very low72 Ų72151.3 Ų151.374%0.74279%0.788SS**  trans-140.5135.5171.900000111.6
261R24.6Very low26.5Very low220 Ų220152.6 Ų152.683%0.8379%0.788SS**  trans-70.8125.9168.5-63.4176.5-177.9165.41.1108.2
262L25.6Very low26.4Very low133 Ų133152 Ų15270%0.69679%0.785SS**  trans-162.5105.2152.6-136.182.9000110.3R264L262-R264 VanDerWaalsContact C-N 3.34Å; L262-R264 HydrophobicContact CD2-CB 4.02Å; L262-R264 HydrophobicContact CD2-CG 3.85Å; L262-R264 PolarHBondContact O-N 2.8Å
263F25.6Very low26.5Very low223 Ų223156.1 Ų156.198%0.97880%0.796SS**  trans-81.790.6157.2-97.3-76.2000107S265F263-S265 PolarHBondContact O-N 2.88Å
264R25.7Very low26.4Very low179 Ų179152.4 Ų152.468%0.67579%0.792SS**  trans-79.4102.4-173-156.8-178.4-134.1-100.97.7110.5L262 N266L262-R264 VanDerWaalsContact C-N 3.34Å; L262-R264 HydrophobicContact CD2-CB 4.02Å; L262-R264 HydrophobicContact CD2-CG 3.85Å; L262-R264 PolarHBondContact O-N 2.8Å; R264-N266 WeakPolarHBondContact CD-OD1 3.18Å; R264-N266 WeakPolarHBondContact CG-OD1 3.33Å; R264-N266 PolarHBondContact NH1-OD1 2.84Å
265S23.6Very low26.5Very low115 Ų115154.4 Ų154.480%0.80480%0.803SS**  trans-75.9119.816250.70000109.3F263F263-S265 PolarHBondContact O-N 2.88Å
266N26.7Very low26.5Very low78 Ų78153.4 Ų153.442%0.41780%0.798SS.*  trans-126.5108.7175.2-109.293.3000110R264 D268R264-N266 WeakPolarHBondContact CD-OD1 3.18Å; R264-N266 WeakPolarHBondContact CG-OD1 3.33Å; R264-N266 PolarHBondContact NH1-OD1 2.84Å; N266-D268 PolarHBondContact ND2-OD1 2.65Å; N266-D268 PolarHBondContact ND2-OD2 3.43Å
267T30.9Very low26.6Very low142 Ų142150.5 Ų150.587%0.87180%0.797SS**  trans-139.7101.2148.247.80000105.5
268D24.1Very low27Very low129 Ų129148.5 Ų148.569%0.6979%0.792SS**  trans-76.3134.3-165.4-54.8-101.2000112.4N266N266-D268 PolarHBondContact ND2-OD1 2.65Å; N266-D268 PolarHBondContact ND2-OD2 3.43Å
269L30.3Very low27.2Very low151 Ų151148.3 Ų148.379%0.79179%0.785SS**  trans-133.7136.9158-78.5177.7000108.3
270Q26.3Very low27.8Very low199 Ų199143.9 Ų143.993%0.9378%0.775SS**PPolyproline II helixtrans-77.5136.4-174.7-67.6170.8-1700110.6
271I27.7Very low28.2Very low157 Ų157149.5 Ų149.581%0.80578%0.782SS**PPolyproline II helixtrans-97.7126.6175.1-63.3173.1000108.1
272T28.8Very low29.1Very low133 Ų133144.5 Ų144.582%0.81677%0.771SS**PPolyproline II helixtrans-80.7134162.348.50000109.4
273E26.6Very low30.6Very low200 Ų200140.2 Ų140.294%0.93575%0.747SS**PPolyproline II helixtrans-68.7145-168.1-57.2172.3130.600113.7
274G27.1Very low32.2Very low67 Ų67135 Ų13569%0.69173%0.725SS**  trans13277.5165.600000116.1
275D27.9Very low33.7Very low171 Ų171128.5 Ų128.591%0.91471%0.705SS**SBendtrans-177.4166.5135.8-93.6-19.7000110.2
276D28.7Very low35.6Very low141 Ų141127 Ų12775%0.75469%0.687SS**  trans-54.3125.8-161.4-99-54.5000116.4N278D276-N278 VanDerWaalsContact C-N 3.26Å; D276-N278 PolarHBondContact O-N 3.08Å
277P29.1Very low37.4Very low117 Ų117126 Ų12676%0.7668%0.681SS**SBendtrans-80.36.3-176.133.4-37.4000114.9
278N31.6Very low38.7Very low140 Ų140123.7 Ų123.775%0.74966%0.66SS**SBendtrans-111.111.6-153.5-131.7-10.3000116.1D276D276-N278 VanDerWaalsContact C-N 3.26Å; D276-N278 PolarHBondContact O-N 3.08Å
279L31.7Very low39.9Very low144 Ų144122.4 Ų122.475%0.75466%0.661SS**SBendtrans-135.1-1.6-174-73.8177.4000116.9
280V35.2Very low40.9Very low110 Ų110122.6 Ų122.667%0.66765%0.651SS**SBendtrans-108.7-29.5-172.2-177.50000113.9L282V280-L282 VanDerWaalsContact C-N 3.32Å; V280-L282 PolarHBondContact O-N 3.06Å
281E33.9Very low41.7Very low190 Ų190121.1 Ų121.189%0.88864%0.641SS**SBendtrans-84.13.3-168.3-137.8179.3-160.100115.2F283E281-F283 PolarHBondContact O-N 2.99Å
282L45Very low42.6Very low115 Ų115118.8 Ų118.860%0.60264%0.639SS**SBendtrans-82.2-2.5-162.8-144.483.1000116.3V280 D439V280-L282 VanDerWaalsContact C-N 3.32Å; V280-L282 PolarHBondContact O-N 3.06Å; L282-D439 WeakPolarHBondContact O-CB 3.46Å
283F55.7Low43.7Very low43 Ų43117.3 Ų117.319%0.18963%0.63CS.*  trans-131.3115.7-168.9-53.1-54.4000112.8E281 V285 L420 L425 D439 L440E281-F283 PolarHBondContact O-N 2.99Å; F283-V285 PolarHBondContact O-N 3.49Å; F283-L420 HydrophobicContact CD2-CD2 3.91Å; F283-L420 HydrophobicContact CE2-CD2 3.92Å; F283-L420 HydrophobicContact CG-CD2 4.36Å; F283-L420 HydrophobicContact CZ-CD2 4.41Å; F283-L425 HydrophobicContact CB-CD1 4.02Å; F283-L425 HydrophobicContact CD2-CD1 3.85Å; F283-L425 HydrophobicContact CG-CD1 4.38Å; F283-D439 HydrophobicContact CD1-CB 4.4Å; F283-D439 WeakPolarHBondContact CE1-O 3.4Å; F283-L440 HydrophobicContact CD1-CD2 4.05Å; F283-L440 HydrophobicContact CE1-CD2 4.12Å
284Q59Low45.8Very low114 Ų114111.3 Ų111.353%0.53360%0.604SS.*  trans-74.5124.1169.1-62165.673.200109.8T438 D439Q284-T438 WeakPolarHBondContact CB-OG1 3.44Å; Q284-T438 PolarHBondContact O-N 2.86Å; Q284-T438 PolarHBondContact O-OG1 3.07Å; Q284-T438 VanDerWaalsContact O-OG1 3.07Å; Q284-D439 PolarHBondContact N-OD2 2.94Å; Q284-D439 PolarHBondContact NE2-OD2 2.89Å; Q284-D439 VanDerWaalsContact NE2-OD2 3.11Å
285V57.6Low48.6Very low42 Ų42108.4 Ų108.426%0.25557%0.573SS.*EExtended strand (participates in β ladder)trans-102.1107.7177.71780000108.9F283 L425 H426 L435F283-V285 PolarHBondContact O-N 3.49Å; V285-L425 HydrophobicContact CG2-CD1 4.12Å; V285-L425 HydrophobicContact CG2-CD2 3.87Å; V285-L425 HydrophobicContact CG2-CG 3.76Å; V285-H426 HydrophobicContact CG1-CB 3.9Å; V285-H426 HydrophobicContact CG2-CB 4.38Å; V285-L435 HydrophobicContact CG1-CD1 3.49Å; V285-L435 VanDerWaalsContact CG1-CD1 3.49Å; V285-L435 HydrophobicContact CG1-CD2 3.74Å; V285-L435 HydrophobicContact CG1-CG 3.72Å
286I64.5Low51.4Low83 Ų83100.7 Ų100.743%0.42653%0.532SS..EExtended strand (participates in β ladder)trans-100101.5177.4-58.1177.2000108.1E288 H436I286-E288 PolarHBondContact O-N 2.87Å; I286-H436 HydrophobicContact CB-CB 4.35Å; I286-H436 PolarHBondContact N-O 3.31Å; I286-H436 PolarHBondContact O-N 3.5Å
287E64.7Low54.5Low59 Ų5994.6 Ų94.628%0.27650%0.502SS..  trans-57.8131.1155-72.7-170.4-179.200107.9S289 H426 L435E287-S289 PolarHBondContact O-N 2.89Å; E287-H426 IonicContact OE1-CD2 2.74Å; E287-H426 IonicContact OE1-CE1 2.78Å; E287-H426 IonicContact OE1-NE2 3.2Å; E287-H426 PolarHBondContact OE1-NE2 2.92Å; E287-L435 HydrophobicContact CG-CD1 3.8Å
288E58.3Low57.6Low92 Ų9289.1 Ų89.143%0.4347%0.466SS..  trans-68.487.1174-71.6-159.6119.600109.5I286 K404 K434I286-E288 PolarHBondContact O-N 2.87Å; E288-K404 VanDerWaalsContact CD-CE 3.45Å; E288-K404 IonicContact OE1-NZ 2.75Å; E288-K404 PolarHBondContact OE1-NZ 3.36Å; E288-K404 WeakPolarHBondContact OE2-CE 3.4Å; E288-K404 IonicContact OE2-NZ 3.37Å; E288-K404 PolarHBondContact OE2-NZ 3.22Å; E288-K434 VanDerWaalsContact OE2-CD 3.24Å; E288-K434 WeakPolarHBondContact OE2-CD 3.34Å; E288-K434 IonicContact OE2-NZ 3.81Å
289S48.7Very low60.6Low102 Ų10287.5 Ų87.571%0.71345%0.45SS*.  trans-55142.1174.862.30000109.9E287 K291E287-S289 PolarHBondContact O-N 2.89Å; S289-K291 PolarHBondContact O-N 3.01Å
290R50.8Low63.5Low156 Ų15685 Ų8559%0.58944%0.435SS*.  trans-59.893.4-169.8-58.9179.4-170.2169.13.1110.5S292R290-S292 PolarHBondContact O-N 2.8Å
291K43.8Very low66.4Low167 Ų16779.8 Ų79.873%0.72640%0.404SS*.  trans-54.6139.2169.4-75.8-173.1175.5-1790107.9S289 T293 D294S289-K291 PolarHBondContact O-N 3.01Å; K291-T293 PolarHBondContact O-N 3.35Å; K291-D294 PolarHBondContact O-N 2.85Å
292S46.2Very low69.3Low109 Ų10973.7 Ų73.776%0.76238%0.379SS*.THydrogen-bonded Turntrans-60.7-11.3-158.749.80000115.4R290 K324R290-S292 PolarHBondContact O-N 2.8Å; S292-K324 WeakPolarHBondContact O-CE 3.28Å; S292-K324 PolarHBondContact O-NZ 3.31Å
293T50.9Low71.7Confident101 Ų10170.9 Ų70.962%0.6237%0.365SS*.THydrogen-bonded Turntrans-75.7-35.8172.351.40000114.4K291 V295K291-T293 PolarHBondContact O-N 3.35Å; T293-V295 PolarHBondContact O-N 2.81Å
294D70.5Confident73.6Confident74 Ų7472 Ų7240%0.39637%0.371SS..SBendtrans-69132.4-166.5-89.7-5.2000113.4K291 K324K291-D294 PolarHBondContact O-N 2.85Å; D294-K324 PolarHBondContact O-NZ 2.95Å
295V86Confident75.2Confident6 Ų672.8 Ų72.84%0.03637%0.369CS..PPolyproline II helixtrans-77.3131-176.7-178.60000110.2T293 A297 S368 H370 S373T293-V295 PolarHBondContact O-N 2.81Å; V295-A297 PolarHBondContact O-N 2.92Å; V295-S368 WeakPolarHBondContact CG2-OG 3.33Å; V295-H370 HydrophobicContact CG2-CB 4.35Å; V295-S373 WeakPolarHBondContact O-CB 3.49Å
296P88.5Confident76.8Confident9 Ų974.3 Ų74.36%0.05837%0.373CS..PPolyproline II helixtrans-72.1126.5-174.330.6-36000111.1P318 L320 S366P296-P318 HydrophobicContact CB-CB 3.74Å; P296-P318 HydrophobicContact CG-CB 3.95Å; P296-P318 HydrophobicContact CG-CG 4.32Å; P296-L320 HydrophobicContact CG-CD2 3.7Å; P296-S366 WeakPolarHBondContact O-CB 3.41Å; P296-S366 PolarHBondContact O-OG 3.01Å
297A92.4Very high78.1Confident14 Ų1475 Ų7512%0.11638%0.377CS..PPolyproline II helixtrans-76.6156-178.200000113V295 P318 Q377 C378V295-A297 PolarHBondContact O-N 2.92Å; A297-P318 WeakPolarHBondContact O-CB 3.24Å; A297-Q377 HydrophobicContact CB-CB 3.38Å; A297-Q377 HydrophobicContact CB-CG 4.29Å; A297-C378 HydrophobicContact CB-CB 4.44Å
298P94.7Very high79.2Confident2 Ų278.7 Ų78.71%0.01339%0.393CS..PPolyproline II helixtrans-65.1161.4173.2-11.928.1000111.5W315 Y329 I364 S366 C378P298-W315 HydrophobicContact CB-CB 4.4Å; P298-W315 HydrophobicContact CB-CG 4.21Å; P298-Y329 HydrophobicContact CB-CE1 4.46Å; P298-Y329 HydrophobicContact CG-CD1 3.76Å; P298-Y329 HydrophobicContact CG-CE1 3.99Å; P298-I364 HydrophobicContact CG-CB 4.26Å; P298-I364 HydrophobicContact CG-CG2 3.91Å; P298-S366 VanDerWaalsContact CD-OG 3.27Å; P298-S366 WeakPolarHBondContact CD-OG 3.41Å; P298-C378 WeakPolarHBondContact O-CB 3.48Å; P298-C378 PolarHBondContact O-SG 2.92Å
299R94.1Very high80.9Confident105 Ų10579.8 Ų79.840%0.39640%0.398SS..EExtended strand (participates in β ladder)trans-125.9162.9-173.7-80.5168.347152.1-25111.8I301 K316 E319R299-I301 PolarHBondContact O-N 2.81Å; R299-K316 PolarHBondContact N-O 2.79Å; R299-K316 PolarHBondContact O-N 3.04Å; R299-E319 VanDerWaalsContact CZ-CD 3.44Å; R299-E319 IonicContact CZ-OE1 3.18Å; R299-E319 IonicContact CZ-OE2 2.74Å; R299-E319 IonicContact NH1-OE1 2.78Å; R299-E319 PolarHBondContact NH1-OE1 2.88Å; R299-E319 IonicContact NH1-OE2 3.96Å; R299-E319 PolarHBondContact NH1-OE2 3.2Å; R299-E319 IonicContact NH2-OE1 2.71Å; R299-E319 PolarHBondContact NH2-OE1 3.17Å
300M93Very high83.1Confident92 Ų9275.6 Ų75.645%0.45337%0.368SS..EExtended strand (participates in β ladder)trans50.854.3173.6-62.1-174.968.500112.3T302 K316 N413M300-T302 PolarHBondContact O-N 3.31Å; M300-T302 PolarHBondContact O-OG1 3.27Å; M300-K316 HydrophobicContact CB-CD 4.41Å; M300-K316 HydrophobicContact CB-CG 4.28Å; M300-K316 HydrophobicContact CG-CD 4.46Å; M300-K316 HydrophobicContact SD-CD 3.66Å; M300-K316 PolarHBondContact SD-NZ 3.05Å; M300-N413 VanDerWaalsContact CA-OD1 3.28Å; M300-N413 WeakPolarHBondContact CA-OD1 3.03Å; M300-N413 PolarHBondContact N-OD1 2.85Å
301I96.2Very high85.3Confident1 Ų168.2 Ų68.21%0.00534%0.341CS..EExtended strand (participates in β ladder)trans-68.1124.7176.5-177.1173.8000109.7R299 S314 I362 I364 L380 S412 N413R299-I301 PolarHBondContact O-N 2.81Å; I301-S314 WeakPolarHBondContact CA-O 3.25Å; I301-I362 HydrophobicContact CD1-CG2 4.39Å; I301-I364 HydrophobicContact CD1-CD1 3.64Å; I301-I364 HydrophobicContact CD1-CG1 3.84Å; I301-I364 HydrophobicContact CG1-CD1 3.99Å; I301-L380 HydrophobicContact CD1-CB 3.92Å; I301-L380 HydrophobicContact CG1-CB 4.21Å; I301-L380 HydrophobicContact CG2-CB 4.14Å; I301-S412 WeakPolarHBondContact CG2-OG 3.48Å; I301-N413 PolarHBondContact N-ND2 3.3Å; I301-N413 PolarHBondContact N-OD1 3Å; I301-N413 VanDerWaalsContact N-OD1 3.09Å; I301-N413 PolarHBondContact O-ND2 3.23Å
302T95.5Very high87.9Confident61 Ų6162.4 Ų62.437%0.37432%0.317SS..EExtended strand (participates in β ladder)trans-127.8133.9-172.226.70000110.7M300 I313 S314M300-T302 PolarHBondContact O-N 3.31Å; M300-T302 PolarHBondContact O-OG1 3.27Å; T302-I313 CarbonylContact O-C 3.59Å; T302-I313 VanDerWaalsContact O-CA 3.24Å; T302-I313 WeakPolarHBondContact O-CA 3.17Å; T302-S314 PolarHBondContact N-O 3.16Å; T302-S314 PolarHBondContact O-N 3.07Å; T302-S314 PolarHBondContact OG1-O 2.79Å; T302-S314 PolarHBondContact OG1-OG 2.89Å
303L95.3Very high90.3Very high56 Ų5657.2 Ų57.229%0.29328%0.281SS..EExtended strand (participates in β ladder)trans-87.3115.8165.5174.267.1000107.2R305 Q306 V311 I313 L380 V382L303-R305 WeakPolarHBondContact CD1-O 3.41Å; L303-Q306 HydrophobicContact CD1-CB 4.39Å; L303-Q306 HydrophobicContact CD2-CB 4.29Å; L303-V311 HydrophobicContact CD1-CB 3.91Å; L303-V311 HydrophobicContact CD1-CG1 3.97Å; L303-I313 HydrophobicContact CD1-CG2 4.4Å; L303-L380 HydrophobicContact CB-CD2 3.85Å; L303-V382 HydrophobicContact CB-CG1 4.37Å; L303-V382 HydrophobicContact CD1-CG1 4.27Å; L303-V382 HydrophobicContact CD2-CB 4.17Å; L303-V382 HydrophobicContact CD2-CG1 3.9Å; L303-V382 HydrophobicContact CG-CG1 4.42Å
304E94.6Very high92.5Very high68 Ų6853 Ų5332%0.31826%0.256SS..EExtended strand (participates in β ladder)trans-94.1-41.2-175.7-53.7-170.7135.200111.5L312 S314 R348E304-L312 HydrophobicContact CB-CD2 4.22Å; E304-L312 HydrophobicContact CB-CG 4.21Å; E304-L312 PolarHBondContact N-O 2.79Å; E304-S314 VanDerWaalsContact CD-CB 3.48Å; E304-S314 VanDerWaalsContact CG-OG 3.3Å; E304-S314 WeakPolarHBondContact CG-OG 3.4Å; E304-S314 WeakPolarHBondContact OE1-CB 3.42Å; E304-S314 PolarHBondContact OE1-OG 2.79Å; E304-R348 IonicContact OE1-CZ 3.67Å; E304-R348 IonicContact OE1-NE 2.67Å; E304-R348 PolarHBondContact OE1-NE 2.81Å; E304-R348 IonicContact OE1-NH2 2.71Å; E304-R348 PolarHBondContact OE1-NH2 2.77Å; E304-R348 IonicContact OE2-CZ 2.58Å; E304-R348 IonicContact OE2-NE 3.59Å; E304-R348 PolarHBondContact OE2-NE 2.78Å; E304-R348 IonicContact OE2-NH2 3.48Å; E304-R348 PolarHBondContact OE2-NH2 3.45Å
305R93.2Very high93.8Very high130 Ų13049.9 Ų49.949%0.49124%0.238SC..EExtended strand (participates in β ladder)trans-144142171.8-64.7-173.3176.2163.73.2110.3L303 V311 L312L303-R305 WeakPolarHBondContact CD1-O 3.41Å; R305-V311 WeakPolarHBondContact O-CA 3.33Å; R305-L312 HydrophobicContact CB-CB 4.16Å; R305-L312 PolarHBondContact N-O 3.21Å; R305-L312 PolarHBondContact O-N 3.07Å
306Q91.7Very high94.2Very high74 Ų7455.2 Ų55.235%0.34626%0.261SS..EExtended strand (participates in β ladder)trans-115.7121.7167.4-178.8175.7-32.100108.2L303 V311 A356L303-Q306 HydrophobicContact CD1-CB 4.39Å; L303-Q306 HydrophobicContact CD2-CB 4.29Å; Q306-V311 HydrophobicContact CB-CG1 4.33Å; Q306-V311 HydrophobicContact CG-CG1 4.02Å; Q306-A356 HydrophobicContact CG-CB 4.49Å; Q306-A356 VanDerWaalsContact NE2-CA 3.33Å; Q306-A356 VanDerWaalsContact NE2-CB 3.32Å; Q306-A356 PolarHBondContact NE2-O 3.45Å
307L92.1Very high94.4Very high97 Ų9757.7 Ų57.751%0.50828%0.279SS..  trans-99.1-176.9171.8-55.7-179.9000108.6S310L307-S310 WeakPolarHBondContact CA-O 3.47Å; L307-S310 WeakPolarHBondContact CB-O 3.42Å; L307-S310 PolarHBondContact N-O 3.02Å
308F87.6Confident94.3Very high137 Ų13757.5 Ų57.560%0.60128%0.276SS*.SBendtrans-68.2-37.5-174.8179.6-116.2000113.3A356F308-A356 WeakPolarHBondContact O-CB 3.23Å; F308-A356 PolarHBondContact O-N 2.75Å
309Q93.8Very high93.6Very high115 Ų11562.4 Ų62.454%0.53730%0.299SS..SBendtrans-129.912.9-178.2-78.2172.3-2600112.8D352 N353 V354Q309-D352 CarbonylContact O-C 3.55Å; Q309-N353 CarbonylContact O-C 3.56Å; Q309-N353 WeakPolarHBondContact O-CA 3.25Å; Q309-N353 PolarHBondContact O-N 3.18Å; Q309-V354 CarbonylContact C-O 3.53Å; Q309-V354 WeakPolarHBondContact CA-O 3.12Å; Q309-V354 PolarHBondContact O-N 2.61Å
310S95.2Very high92.4Very high13 Ų1361.7 Ų61.79%0.09130%0.302CS..EExtended strand (participates in β ladder)trans-154.1160.8-179.461.80000113.2L307 I351 D352 V354L307-S310 WeakPolarHBondContact CA-O 3.47Å; L307-S310 WeakPolarHBondContact CB-O 3.42Å; L307-S310 PolarHBondContact N-O 3.02Å; S310-I351 CarbonylContact C-O 3.6Å; S310-I351 WeakPolarHBondContact CA-O 3.1Å; S310-I351 VanDerWaalsContact CB-O 3.3Å; S310-I351 WeakPolarHBondContact CB-O 3.42Å; S310-D352 WeakPolarHBondContact CB-OD1 3.39Å; S310-D352 PolarHBondContact OG-OD1 3.06Å; S310-V354 PolarHBondContact N-O 2.83Å
311V96.3Very high90.9Very high2 Ų263.1 Ų63.11%0.01231%0.312CS..EExtended strand (participates in β ladder)trans-137.2133-175.7-71.60000111.2L303 R305 Q306 L350 I351 V354 I362 V382L303-V311 HydrophobicContact CD1-CB 3.91Å; L303-V311 HydrophobicContact CD1-CG1 3.97Å; R305-V311 WeakPolarHBondContact O-CA 3.33Å; Q306-V311 HydrophobicContact CB-CG1 4.33Å; Q306-V311 HydrophobicContact CG-CG1 4.02Å; V311-L350 CarbonylContact O-C 3.49Å; V311-I351 HydrophobicContact CG2-CB 3.92Å; V311-I351 HydrophobicContact CG2-CD1 4.14Å; V311-I351 HydrophobicContact CG2-CG1 4.28Å; V311-I351 PolarHBondContact N-O 3.27Å; V311-I351 PolarHBondContact O-N 3Å; V311-V354 HydrophobicContact CG1-CB 4.42Å; V311-V354 HydrophobicContact CG1-CG1 4.04Å; V311-V354 HydrophobicContact CG2-CB 4.08Å; V311-V354 HydrophobicContact CG2-CG1 4.07Å; V311-V354 HydrophobicContact CG2-CG2 3.93Å; V311-I362 HydrophobicContact CG2-CD1 3.81Å; V311-V382 HydrophobicContact CG1-CG2 4.42Å
312L97.3Very high89Confident44 Ų4472.4 Ų72.423%0.2336%0.355CS..EExtended strand (participates in β ladder)trans-96.1118.8169.3-17966.8000108.5E304 R305 A349 L350E304-L312 HydrophobicContact CB-CD2 4.22Å; E304-L312 HydrophobicContact CB-CG 4.21Å; E304-L312 PolarHBondContact N-O 2.79Å; R305-L312 HydrophobicContact CB-CB 4.16Å; R305-L312 PolarHBondContact N-O 3.21Å; R305-L312 PolarHBondContact O-N 3.07Å; L312-A349 WeakPolarHBondContact CA-O 3.48Å; L312-L350 HydrophobicContact CB-CD1 4.48Å; L312-L350 HydrophobicContact CD1-CB 4.44Å
313I97.3Very high87.3Confident0 Ų076.4 Ų76.40%038%0.375CS..EExtended strand (participates in β ladder)trans-115.4159.4177.756.3150000111.9T302 L303 W315 I331 R348 A349 I351 I362 I364T302-I313 CarbonylContact O-C 3.59Å; T302-I313 VanDerWaalsContact O-CA 3.24Å; T302-I313 WeakPolarHBondContact O-CA 3.17Å; L303-I313 HydrophobicContact CD1-CG2 4.4Å; I313-W315 HydrophobicContact CD1-CE3 4.06Å; I313-W315 HydrophobicContact CD1-CZ3 3.78Å; I313-W315 HydrophobicContact CG1-CZ3 4.22Å; I313-I331 HydrophobicContact CD1-CG1 4.49Å; I313-I331 HydrophobicContact CD1-CG2 4.17Å; I313-R348 CarbonylContact O-C 3.6Å; I313-R348 WeakPolarHBondContact O-CA 3.2Å; I313-A349 HydrophobicContact CD1-CB 4.3Å; I313-A349 HydrophobicContact CG1-CB 4.05Å; I313-A349 VanDerWaalsContact CG1-O 3.29Å; I313-A349 WeakPolarHBondContact CG1-O 3.46Å; I313-A349 PolarHBondContact N-O 3.45Å; I313-A349 PolarHBondContact O-N 3.29Å; I313-I351 HydrophobicContact CD1-CD1 3.91Å; I313-I351 HydrophobicContact CG1-CD1 4.04Å; I313-I351 HydrophobicContact CG1-CG1 4.35Å; I313-I362 HydrophobicContact CD1-CG2 4.11Å; I313-I362 HydrophobicContact CG2-CD1 3.6Å; I313-I364 HydrophobicContact CD1-CD1 3.84Å; I313-I364 HydrophobicContact CD1-CG1 4.46Å
314S97.6Very high86Confident13 Ų1375.8 Ų75.89%0.09137%0.369CS..EExtended strand (participates in β ladder)trans-14216616858.70000112.2I301 T302 E304 T347I301-S314 WeakPolarHBondContact CA-O 3.25Å; T302-S314 PolarHBondContact N-O 3.16Å; T302-S314 PolarHBondContact O-N 3.07Å; T302-S314 PolarHBondContact OG1-O 2.79Å; T302-S314 PolarHBondContact OG1-OG 2.89Å; E304-S314 VanDerWaalsContact CD-CB 3.48Å; E304-S314 VanDerWaalsContact CG-OG 3.3Å; E304-S314 WeakPolarHBondContact CG-OG 3.4Å; E304-S314 WeakPolarHBondContact OE1-CB 3.42Å; E304-S314 PolarHBondContact OE1-OG 2.79Å; S314-T347 CarbonylContact C-O 3.57Å; S314-T347 VanDerWaalsContact CA-O 3.3Å; S314-T347 WeakPolarHBondContact CA-O 3.21Å; S314-T347 WeakPolarHBondContact CB-O 3.45Å
315W97.3Very high85.4Confident8 Ų878.8 Ų78.83%0.0339%0.386CS..EExtended strand (participates in β ladder)trans-152.2171.2176.758.696.7000110.4P298 I313 Y329 I331 V341 T347 A349 I364P298-W315 HydrophobicContact CB-CB 4.4Å; P298-W315 HydrophobicContact CB-CG 4.21Å; I313-W315 HydrophobicContact CD1-CE3 4.06Å; I313-W315 HydrophobicContact CD1-CZ3 3.78Å; I313-W315 HydrophobicContact CG1-CZ3 4.22Å; W315-Y329 AromaticContact CZ2-CD2 3.91Å; W315-Y329 HydrophobicContact CZ2-CD2 3.91Å; W315-Y329 HydrophobicContact CZ2-CG 4.05Å; W315-Y329 AromaticContact NE1-CD1 3.75Å; W315-Y329 AromaticContact NE1-CD2 3.49Å; W315-Y329 AromaticContact NE1-CE1 3.98Å; W315-Y329 AromaticContact NE1-CE2 3.72Å; W315-Y329 AromaticContact NE1-CG 3.5Å; W315-Y329 AromaticContact NE1-CZ 3.97Å; W315-I331 HydrophobicContact CH2-CD1 3.81Å; W315-I331 HydrophobicContact CH2-CG1 4.47Å; W315-I331 HydrophobicContact CZ3-CD1 4.18Å; W315-V341 HydrophobicContact CH2-CB 4.13Å; W315-V341 HydrophobicContact CH2-CG1 4.24Å; W315-V341 HydrophobicContact CH2-CG2 3.97Å; W315-V341 HydrophobicContact CZ2-CB 4.05Å; W315-V341 HydrophobicContact CZ2-CG1 4.01Å; W315-V341 HydrophobicContact CZ2-CG2 4.41Å; W315-T347 HydrophobicContact CZ2-CG2 4.5Å; W315-T347 PolarHBondContact N-O 3.18Å; W315-T347 VanDerWaalsContact O-CB 3.26Å; W315-T347 WeakPolarHBondContact O-CB 3.45Å; W315-T347 PolarHBondContact O-OG1 3.08Å; W315-A349 HydrophobicContact CH2-CB 4.06Å; W315-A349 HydrophobicContact CZ3-CB 3.97Å; W315-I364 HydrophobicContact CB-CD1 4.15Å; W315-I364 HydrophobicContact CD2-CD1 3.66Å; W315-I364 HydrophobicContact CE3-CD1 3.42Å; W315-I364 VanDerWaalsContact CE3-CD1 3.42Å; W315-I364 HydrophobicContact CG-CD1 3.99Å; W315-I364 HydrophobicContact CZ3-CD1 4.12Å
316K95.2Very high85.2Confident118 Ų11873.1 Ų73.151%0.51337%0.366SS..EExtended strand (participates in β ladder)trans-104.7141.8165.7-64.3-170.3-175.6178.10110.2R299 M300R299-K316 PolarHBondContact N-O 2.79Å; R299-K316 PolarHBondContact O-N 3.04Å; M300-K316 HydrophobicContact CB-CD 4.41Å; M300-K316 HydrophobicContact CB-CG 4.28Å; M300-K316 HydrophobicContact CG-CD 4.46Å; M300-K316 HydrophobicContact SD-CD 3.66Å; M300-K316 PolarHBondContact SD-NZ 3.05Å
317S92.3Very high85.2Confident62 Ų6272.3 Ų72.343%0.43437%0.369SS..  trans-52.8148.5171.4-55.90000111.7Y329S317-Y329 WeakPolarHBondContact CB-OH 3.27Å; S317-Y329 PolarHBondContact OG-OH 3.08Å; S317-Y329 VanDerWaalsContact OG-OH 3.11Å
318P89.9Confident85.3Confident10 Ų1068 Ų687%0.06535%0.347CS..  trans-57147.7170.220.5-30.5000112.1P296 A297 L320 V326 Y329P296-P318 HydrophobicContact CB-CB 3.74Å; P296-P318 HydrophobicContact CG-CB 3.95Å; P296-P318 HydrophobicContact CG-CG 4.32Å; A297-P318 WeakPolarHBondContact O-CB 3.24Å; P318-L320 HydrophobicContact CB-CD2 4.07Å; P318-L320 HydrophobicContact CG-CD2 3.74Å; P318-L320 HydrophobicContact CG-CG 4.48Å; P318-L320 PolarHBondContact O-N 2.8Å; P318-V326 HydrophobicContact CG-CG2 3.94Å; P318-Y329 WeakPolarHBondContact CD-OH 3.25Å
319E79.9Confident85.8Confident104 Ų10461.8 Ų61.849%0.48632%0.32SS..  trans-66.6112.3160.4-72.7157.817700108R299R299-E319 VanDerWaalsContact CZ-CD 3.44Å; R299-E319 IonicContact CZ-OE1 3.18Å; R299-E319 IonicContact CZ-OE2 2.74Å; R299-E319 IonicContact NH1-OE1 2.78Å; R299-E319 PolarHBondContact NH1-OE1 2.88Å; R299-E319 IonicContact NH1-OE2 3.96Å; R299-E319 PolarHBondContact NH1-OE2 3.2Å; R299-E319 IonicContact NH2-OE1 2.71Å; R299-E319 PolarHBondContact NH2-OE1 3.17Å
320L68.9Low86Confident90 Ų9058.7 Ų58.747%0.47131%0.305SS..  trans-93.5134.9-178.2-60.9-178000110.9P296 P318 K324 V326P296-L320 HydrophobicContact CG-CD2 3.7Å; P318-L320 HydrophobicContact CB-CD2 4.07Å; P318-L320 HydrophobicContact CG-CD2 3.74Å; P318-L320 HydrophobicContact CG-CG 4.48Å; P318-L320 PolarHBondContact O-N 2.8Å; L320-K324 WeakPolarHBondContact CD2-O 3.37Å; L320-V326 HydrophobicContact CD2-CG2 3.99Å
321N62Low86.1Confident123 Ų12358.1 Ų58.166%0.65830%0.301SS*.  trans-88.4145.9161.2-58.740.7000107.4N323 K324N321-N323 PolarHBondContact O-N 3.12Å; N321-K324 PolarHBondContact O-N 2.84Å
322E57.2Low86.2Confident195 Ų19559.1 Ų59.191%0.91131%0.305SS*.THydrogen-bonded Turntrans-45.8-30.3-166.8-60.6174153.200116.2
323N58.8Low86.1Confident146 Ų14657.1 Ų57.178%0.78129%0.294SS*.THydrogen-bonded Turntrans-89.77.3-177.5-65-28.9000115.3N321N321-N323 PolarHBondContact O-N 3.12Å
324K68.3Low86Confident42 Ų4261.4 Ų61.418%0.18332%0.317CS..  trans-129108.2179.7-70.9-171.8177.31770112.3S292 D294 L320 N321S292-K324 WeakPolarHBondContact O-CE 3.28Å; S292-K324 PolarHBondContact O-NZ 3.31Å; D294-K324 PolarHBondContact O-NZ 2.95Å; L320-K324 WeakPolarHBondContact CD2-O 3.37Å; N321-K324 PolarHBondContact O-N 2.84Å
325I81Confident85.8Confident132 Ų13263 Ų6368%0.67734%0.336SS*.  trans-98.3129.5172.9-56.6174000108.5S368I325-S368 WeakPolarHBondContact O-CB 2.98Å
326V89.3Confident85.7Confident11 Ų1169 Ų697%0.06736%0.364CS..  trans-87.7136.4168.6172.10000108.2P318 L320 A328 Y329 A343 I367P318-V326 HydrophobicContact CG-CG2 3.94Å; L320-V326 HydrophobicContact CD2-CG2 3.99Å; V326-A328 WeakPolarHBondContact CG1-O 3.07Å; V326-Y329 HydrophobicContact CG1-CD1 4.33Å; V326-Y329 HydrophobicContact CG1-CE1 3.84Å; V326-A343 HydrophobicContact CB-CB 4.46Å; V326-A343 HydrophobicContact CG1-CB 4.14Å; V326-A343 WeakPolarHBondContact O-CB 3.45Å; V326-I367 CarbonylContact C-O 3.6Å; V326-I367 VanDerWaalsContact CA-O 3.31Å; V326-I367 WeakPolarHBondContact CA-O 3.36Å; V326-I367 WeakPolarHBondContact CG1-O 3.28Å
327S91.4Very high85.8Confident57 Ų5768.1 Ų68.140%0.39936%0.361SS..  trans-98.5-37.1-179.454.40000112.7A343 I367S327-A343 WeakPolarHBondContact O-CB 3.41Å; S327-A343 PolarHBondContact O-N 2.83Å; S327-I367 PolarHBondContact N-O 3.01Å; S327-I367 PolarHBondContact OG-O 3.17Å
328A94.9Very high86Confident7 Ų769 Ų696%0.05836%0.355CS..EExtended strand (participates in β ladder)trans-156.4168.3179.700000111.6V326 V341 M342 I367V326-A328 WeakPolarHBondContact CG1-O 3.07Å; A328-V341 CarbonylContact C-O 3.54Å; A328-V341 WeakPolarHBondContact CA-O 3.12Å; A328-M342 HydrophobicContact CB-SD 3.92Å; A328-I367 WeakPolarHBondContact O-CB 3.45Å; A328-I367 PolarHBondContact O-N 3.48Å
329Y97.7Very high86.3Confident5 Ų570.9 Ų70.92%0.0236%0.363CS..EExtended strand (participates in β ladder)trans-115117.9170.7-58.1-69.1000108.8P298 W315 S317 P318 V326 A340 V341 T347 R365P298-Y329 HydrophobicContact CB-CE1 4.46Å; P298-Y329 HydrophobicContact CG-CD1 3.76Å; P298-Y329 HydrophobicContact CG-CE1 3.99Å; W315-Y329 AromaticContact CZ2-CD2 3.91Å; W315-Y329 HydrophobicContact CZ2-CD2 3.91Å; W315-Y329 HydrophobicContact CZ2-CG 4.05Å; W315-Y329 AromaticContact NE1-CD1 3.75Å; W315-Y329 AromaticContact NE1-CD2 3.49Å; W315-Y329 AromaticContact NE1-CE1 3.98Å; W315-Y329 AromaticContact NE1-CE2 3.72Å; W315-Y329 AromaticContact NE1-CG 3.5Å; W315-Y329 AromaticContact NE1-CZ 3.97Å; S317-Y329 WeakPolarHBondContact CB-OH 3.27Å; S317-Y329 PolarHBondContact OG-OH 3.08Å; S317-Y329 VanDerWaalsContact OG-OH 3.11Å; P318-Y329 WeakPolarHBondContact CD-OH 3.25Å; V326-Y329 HydrophobicContact CG1-CD1 4.33Å; V326-Y329 HydrophobicContact CG1-CE1 3.84Å; Y329-A340 CarbonylContact O-C 3.02Å; Y329-A340 VanDerWaalsContact O-CA 3.31Å; Y329-A340 WeakPolarHBondContact O-CA 3.47Å; Y329-V341 PolarHBondContact N-O 3.48Å; Y329-V341 PolarHBondContact O-N 3Å; Y329-T347 HydrophobicContact CD2-CG2 4.4Å; Y329-T347 HydrophobicContact CE2-CG2 3.78Å; Y329-R365 CarbonylContact C-O 3.59Å; Y329-R365 WeakPolarHBondContact CA-O 3.38Å
330H97.6Very high87.1Confident51 Ų5168.1 Ų68.124%0.23636%0.358CS..EExtended strand (participates in β ladder)trans-95.3127.9174.6-75.1-158.1000109.9Y332 F337 I364 R365 I367H330-Y332 HydrophobicContact CB-CD2 4.47Å; H330-Y332 HydrophobicContact CB-CE2 3.6Å; H330-Y332 WeakPolarHBondContact O-CD2 3.38Å; H330-F337 HydrophobicContact CB-CD2 4.09Å; H330-F337 HydrophobicContact CB-CE2 3.85Å; H330-F337 AromaticContact CG-CE2 3.67Å; H330-F337 AromaticContact ND1-CE2 3.69Å; H330-I364 WeakPolarHBondContact O-CA 3.36Å; H330-R365 PolarHBondContact N-O 2.96Å; H330-R365 PolarHBondContact O-N 2.84Å; H330-I367 HydrophobicContact CB-CD1 4.13Å; H330-I367 HydrophobicContact CB-CG1 4.22Å; H330-I367 VanDerWaalsContact CD2-CG1 3.45Å; H330-I367 WeakPolarHBondContact CD2-CG1 3.43Å
331I97.8Very high88.4Confident0 Ų064.2 Ų64.20%034%0.338CS..EExtended strand (participates in β ladder)trans-105.7131.5-176-62.9147.3000109.2I313 W315 R338 L339 V341 A349 I351 I362 I364I313-I331 HydrophobicContact CD1-CG1 4.49Å; I313-I331 HydrophobicContact CD1-CG2 4.17Å; W315-I331 HydrophobicContact CH2-CD1 3.81Å; W315-I331 HydrophobicContact CH2-CG1 4.47Å; W315-I331 HydrophobicContact CZ3-CD1 4.18Å; I331-R338 PolarHBondContact O-N 3.03Å; I331-L339 HydrophobicContact CB-CG 4.41Å; I331-L339 HydrophobicContact CD1-CD1 3.64Å; I331-L339 HydrophobicContact CD1-CD2 4.47Å; I331-L339 HydrophobicContact CD1-CG 3.84Å; I331-L339 PolarHBondContact N-O 3.12Å; I331-V341 HydrophobicContact CD1-CG2 3.92Å; I331-A349 HydrophobicContact CD1-CB 3.49Å; I331-A349 VanDerWaalsContact CD1-CB 3.49Å; I331-I351 HydrophobicContact CG2-CD1 3.5Å; I331-I351 HydrophobicContact CG2-CG1 4.23Å; I331-I362 HydrophobicContact CG2-CG2 4.33Å; I331-I364 HydrophobicContact CG1-CG1 4.33Å; I331-I364 HydrophobicContact CG1-CG2 4.16Å
332Y97.8Very high90Very high24 Ų2463.1 Ų63.19%0.09433%0.331CS..EExtended strand (participates in β ladder)trans-122.6138-176.8-63.1-99.3000110.6H330 Q336 F337 I362 S363 R365H330-Y332 HydrophobicContact CB-CD2 4.47Å; H330-Y332 HydrophobicContact CB-CE2 3.6Å; H330-Y332 WeakPolarHBondContact O-CD2 3.38Å; Y332-Q336 CarbonylContact C-O 3.57Å; Y332-Q336 WeakPolarHBondContact CA-O 3.49Å; Y332-Q336 WeakPolarHBondContact CB-O 3.32Å; Y332-F337 HydrophobicContact CD1-CB 4.02Å; Y332-F337 HydrophobicContact CE1-CB 3.75Å; Y332-F337 HydrophobicContact CE1-CD2 4.33Å; Y332-I362 CarbonylContact O-C 3.52Å; Y332-I362 WeakPolarHBondContact O-CA 3.49Å; Y332-S363 PolarHBondContact N-O 2.85Å; Y332-S363 PolarHBondContact O-N 2.88Å; Y332-R365 HydrophobicContact CD2-CG 4.15Å; Y332-R365 HydrophobicContact CE2-CB 4.23Å; Y332-R365 HydrophobicContact CE2-CG 3.74Å; Y332-R365 PolarHBondContact OH-NH1 3.39Å
333V96.8Very high91.6Very high2 Ų255.6 Ų55.61%0.01230%0.302CS..EExtended strand (participates in β ladder)trans-114.7122.7168.9178.50000108.2G335 Q336 R338 I351 V354 H360 R361V333-G335 PolarHBondContact O-N 3.41Å; V333-Q336 PolarHBondContact N-O 2.66Å; V333-Q336 PolarHBondContact O-N 3.11Å; V333-R338 HydrophobicContact CB-CG 3.96Å; V333-R338 HydrophobicContact CG2-CG 3.79Å; V333-I351 HydrophobicContact CG2-CD1 4.23Å; V333-I351 HydrophobicContact CG2-CG2 3.87Å; V333-V354 HydrophobicContact CG1-CG2 4.35Å; V333-V354 HydrophobicContact CG2-CG2 4.17Å; V333-H360 HydrophobicContact CG1-CB 4.36Å; V333-R361 CarbonylContact C-O 3.57Å; V333-R361 WeakPolarHBondContact CA-O 3.22Å
334D94.5Very high93Very high89 Ų8958.7 Ų58.748%0.47631%0.308SS..THydrogen-bonded Turntrans53.914.9-175.6-60.5-50.6000115.9H360 R361D334-H360 IonicContact OD2-CE1 2.72Å; D334-H360 IonicContact OD2-CG 3.2Å; D334-H360 IonicContact OD2-ND1 3.56Å; D334-H360 PolarHBondContact OD2-ND1 3.25Å; D334-R361 PolarHBondContact N-O 3.02Å; D334-R361 PolarHBondContact OD1-N 3.18Å
335G93.3Very high94.1Very high47 Ų4761.4 Ų61.449%0.48532%0.321SS..THydrogen-bonded Turntrans103.1-10.7-177.600000114.3V333V333-G335 PolarHBondContact O-N 3.41Å
336Q95.8Very high94.8Very high134 Ų13459.1 Ų59.163%0.62631%0.307SS*.EExtended strand (participates in β ladder)trans-80.8135.8169.1-65.6178.3-2900109.8Y332 V333Y332-Q336 CarbonylContact C-O 3.57Å; Y332-Q336 WeakPolarHBondContact CA-O 3.49Å; Y332-Q336 WeakPolarHBondContact CB-O 3.32Å; V333-Q336 PolarHBondContact N-O 2.66Å; V333-Q336 PolarHBondContact O-N 3.11Å
337F96.4Very high95.1Very high99 Ų9960.2 Ų60.243%0.43431%0.314SS..EExtended strand (participates in β ladder)trans-65.3143171.2173.9-104.3000109.8H330 Y332 L339 A340H330-F337 HydrophobicContact CB-CD2 4.09Å; H330-F337 HydrophobicContact CB-CE2 3.85Å; H330-F337 AromaticContact CG-CE2 3.67Å; H330-F337 AromaticContact ND1-CE2 3.69Å; Y332-F337 HydrophobicContact CD1-CB 4.02Å; Y332-F337 HydrophobicContact CE1-CB 3.75Å; Y332-F337 HydrophobicContact CE1-CD2 4.33Å; F337-L339 VanDerWaalsContact CE2-C 3.44Å; F337-L339 WeakPolarHBondContact CE2-O 3.33Å; F337-A340 HydrophobicContact CE2-CB 4.3Å; F337-A340 HydrophobicContact CZ-CB 4.09Å
338R95.8Very high95.4Very high82 Ų8263.7 Ų63.731%0.30932%0.318SS..EExtended strand (participates in β ladder)trans-123.3-47.2176.3-67.5-54.7-156.281.96.7113.7I331 V333 I351 D352 N353I331-R338 PolarHBondContact O-N 3.03Å; V333-R338 HydrophobicContact CB-CG 3.96Å; V333-R338 HydrophobicContact CG2-CG 3.79Å; R338-I351 HydrophobicContact CB-CG2 4.03Å; R338-I351 HydrophobicContact CG-CG2 4.13Å; R338-D352 PolarHBondContact NH1-O 3.44Å; R338-N353 PolarHBondContact NH2-O 2.97Å
339L96.5Very high95.5Very high48 Ų4863.8 Ų63.825%0.25132%0.319SS..EExtended strand (participates in β ladder)trans-157.9164.7176.769.5116.6000112I331 F337 V341 A349 L350 I351I331-L339 HydrophobicContact CB-CG 4.41Å; I331-L339 HydrophobicContact CD1-CD1 3.64Å; I331-L339 HydrophobicContact CD1-CD2 4.47Å; I331-L339 HydrophobicContact CD1-CG 3.84Å; I331-L339 PolarHBondContact N-O 3.12Å; F337-L339 VanDerWaalsContact CE2-C 3.44Å; F337-L339 WeakPolarHBondContact CE2-O 3.33Å; L339-V341 HydrophobicContact CD1-CG2 3.65Å; L339-A349 HydrophobicContact CD1-CB 3.99Å; L339-A349 HydrophobicContact CD2-CB 4.45Å; L339-L350 WeakPolarHBondContact CD2-O 3.29Å; L339-I351 HydrophobicContact CD2-CG1 4.17Å; L339-I351 HydrophobicContact CD2-CG2 4.44Å
340A96.7Very high95.4Very high46 Ų4667.7 Ų67.738%0.3834%0.34SS..EExtended strand (participates in β ladder)trans-115.2145.4171.200000110.3Y329 F337Y329-A340 CarbonylContact O-C 3.02Å; Y329-A340 VanDerWaalsContact O-CA 3.31Å; Y329-A340 WeakPolarHBondContact O-CA 3.47Å; F337-A340 HydrophobicContact CE2-CB 4.3Å; F337-A340 HydrophobicContact CZ-CB 4.09Å
341V96.9Very high95.4Very high8 Ų865.4 Ų65.45%0.04833%0.329CS..EExtended strand (participates in β ladder)trans-123.4124172.6171.30000107.3W315 A328 Y329 I331 L339 E345 A349W315-V341 HydrophobicContact CH2-CB 4.13Å; W315-V341 HydrophobicContact CH2-CG1 4.24Å; W315-V341 HydrophobicContact CH2-CG2 3.97Å; W315-V341 HydrophobicContact CZ2-CB 4.05Å; W315-V341 HydrophobicContact CZ2-CG1 4.01Å; W315-V341 HydrophobicContact CZ2-CG2 4.41Å; A328-V341 CarbonylContact C-O 3.54Å; A328-V341 WeakPolarHBondContact CA-O 3.12Å; Y329-V341 PolarHBondContact N-O 3.48Å; Y329-V341 PolarHBondContact O-N 3Å; I331-V341 HydrophobicContact CD1-CG2 3.92Å; L339-V341 HydrophobicContact CD1-CG2 3.65Å; V341-E345 VanDerWaalsContact CA-OE2 3.31Å; V341-E345 WeakPolarHBondContact CA-OE2 3.13Å; V341-E345 HydrophobicContact CG1-CB 3.77Å; V341-E345 WeakPolarHBondContact CG1-OE2 3.32Å; V341-A349 HydrophobicContact CG2-CB 4.28Å
342M95.7Very high95.2Very high101 Ų10169.4 Ų69.450%0.49835%0.35SS..EExtended strand (participates in β ladder)trans-70.5153.2-175-57.7-64.7-75.300111.3A328 K344 E345A328-M342 HydrophobicContact CB-SD 3.92Å; M342-K344 PolarHBondContact O-N 3.21Å; M342-E345 HydrophobicContact CB-CG 4.24Å; M342-E345 WeakPolarHBondContact CB-OE1 3.47Å; M342-E345 WeakPolarHBondContact CG-OE1 3.42Å; M342-E345 VanDerWaalsContact N-CD 3.26Å; M342-E345 PolarHBondContact N-OE2 3.16Å; M342-E345 WeakPolarHBondContact O-CB 3.48Å; M342-E345 PolarHBondContact O-N 2.89Å
343A90.2Very high94.9Very high37 Ų3774.2 Ų74.231%0.30638%0.378SS..THydrogen-bonded Turntrans-68-5.2-172.800000115.4V326 S327V326-A343 HydrophobicContact CB-CB 4.46Å; V326-A343 HydrophobicContact CG1-CB 4.14Å; V326-A343 WeakPolarHBondContact O-CB 3.45Å; S327-A343 WeakPolarHBondContact O-CB 3.41Å; S327-A343 PolarHBondContact O-N 2.83Å
344K87.9Confident94.8Very high210 Ų21074.3 Ų74.391%0.91338%0.378SS*.THydrogen-bonded Turntrans-95-18172.1-65.1-175.5178.9-178.90113.6M342M342-K344 PolarHBondContact O-N 3.21Å
345E92.5Very high94.7Very high99 Ų9972.1 Ų72.146%0.46337%0.366SS..SBendtrans-78.5164.5-175-70.6157.5-156.300111.6V341 M342 T347V341-E345 VanDerWaalsContact CA-OE2 3.31Å; V341-E345 WeakPolarHBondContact CA-OE2 3.13Å; V341-E345 HydrophobicContact CG1-CB 3.77Å; V341-E345 WeakPolarHBondContact CG1-OE2 3.32Å; M342-E345 HydrophobicContact CB-CG 4.24Å; M342-E345 WeakPolarHBondContact CB-OE1 3.47Å; M342-E345 WeakPolarHBondContact CG-OE1 3.42Å; M342-E345 VanDerWaalsContact N-CD 3.26Å; M342-E345 PolarHBondContact N-OE2 3.16Å; M342-E345 WeakPolarHBondContact O-CB 3.48Å; M342-E345 PolarHBondContact O-N 2.89Å; E345-T347 PolarHBondContact O-N 3.48Å
346K94.3Very high94.6Very high85 Ų8570.8 Ų70.837%0.3735%0.351SS..  trans-56128.6170.3-73.9168.1173.7147.80108.9R348 E1326 D1327K346-R348 PolarHBondContact O-N 3.32Å; K346-E1326 VanDerWaalsContact CD-O 3.28Å; K346-E1326 WeakPolarHBondContact CD-O 3.48Å; K346-E1326 WeakPolarHBondContact CE-O 3.48Å; K346-E1326 VanDerWaalsContact NZ-CB 3.31Å; K346-E1326 PolarHBondContact NZ-O 2.9Å; K346-E1326 IonicContact NZ-OE2 2.72Å; K346-D1327 IonicContact NZ-OD1 3.68Å; K346-D1327 PolarHBondContact NZ-OD1 2.77Å; K346-D1327 IonicContact NZ-OD2 3.99Å; K346-D1327 PolarHBondContact NZ-OD2 3.06Å
347T96.5Very high94.4Very high34 Ų3468.5 Ų68.521%0.20934%0.343CS..SBendtrans-77.459.4-176.747.80000112.7S314 W315 Y329 E345S314-T347 CarbonylContact C-O 3.57Å; S314-T347 VanDerWaalsContact CA-O 3.3Å; S314-T347 WeakPolarHBondContact CA-O 3.21Å; S314-T347 WeakPolarHBondContact CB-O 3.45Å; W315-T347 HydrophobicContact CZ2-CG2 4.5Å; W315-T347 PolarHBondContact N-O 3.18Å; W315-T347 VanDerWaalsContact O-CB 3.26Å; W315-T347 WeakPolarHBondContact O-CB 3.45Å; W315-T347 PolarHBondContact O-OG1 3.08Å; Y329-T347 HydrophobicContact CD2-CG2 4.4Å; Y329-T347 HydrophobicContact CE2-CG2 3.78Å; E345-T347 PolarHBondContact O-N 3.48Å
348R97.6Very high94.2Very high130 Ų13069.3 Ų69.349%0.49135%0.347SS..EExtended strand (participates in β ladder)trans-138.7155.8-179.5-46.817988168.412.6108.9E304 I313 K346E304-R348 IonicContact OE1-CZ 3.67Å; E304-R348 IonicContact OE1-NE 2.67Å; E304-R348 PolarHBondContact OE1-NE 2.81Å; E304-R348 IonicContact OE1-NH2 2.71Å; E304-R348 PolarHBondContact OE1-NH2 2.77Å; E304-R348 IonicContact OE2-CZ 2.58Å; E304-R348 IonicContact OE2-NE 3.59Å; E304-R348 PolarHBondContact OE2-NE 2.78Å; E304-R348 IonicContact OE2-NH2 3.48Å; E304-R348 PolarHBondContact OE2-NH2 3.45Å; I313-R348 CarbonylContact O-C 3.6Å; I313-R348 WeakPolarHBondContact O-CA 3.2Å; K346-R348 PolarHBondContact O-N 3.32Å
349A96.9Very high94Very high9 Ų969.2 Ų69.27%0.07436%0.356CS..EExtended strand (participates in β ladder)trans-153.7136.8172.700000111.5L312 I313 W315 I331 L339 V341L312-A349 WeakPolarHBondContact CA-O 3.48Å; I313-A349 HydrophobicContact CD1-CB 4.3Å; I313-A349 HydrophobicContact CG1-CB 4.05Å; I313-A349 VanDerWaalsContact CG1-O 3.29Å; I313-A349 WeakPolarHBondContact CG1-O 3.46Å; I313-A349 PolarHBondContact N-O 3.45Å; I313-A349 PolarHBondContact O-N 3.29Å; W315-A349 HydrophobicContact CH2-CB 4.06Å; W315-A349 HydrophobicContact CZ3-CB 3.97Å; I331-A349 HydrophobicContact CD1-CB 3.49Å; I331-A349 VanDerWaalsContact CD1-CB 3.49Å; L339-A349 HydrophobicContact CD1-CB 3.99Å; L339-A349 HydrophobicContact CD2-CB 4.45Å; V341-A349 HydrophobicContact CG2-CB 4.28Å
350L97Very high93.9Very high87 Ų8768.1 Ų68.146%0.45535%0.35SS..EExtended strand (participates in β ladder)trans-83.7134.4160.2-177.763.4000108.1V311 L312 L339V311-L350 CarbonylContact O-C 3.49Å; L312-L350 HydrophobicContact CB-CD1 4.48Å; L312-L350 HydrophobicContact CD1-CB 4.44Å; L339-L350 WeakPolarHBondContact CD2-O 3.29Å
351I96.7Very high93.9Very high2 Ų268 Ų681%0.0134%0.34CS..EExtended strand (participates in β ladder)trans-126.2112.6176.1-38.7170.6000108.8S310 V311 I313 I331 V333 R338 L339 V354 I362S310-I351 CarbonylContact C-O 3.6Å; S310-I351 WeakPolarHBondContact CA-O 3.1Å; S310-I351 VanDerWaalsContact CB-O 3.3Å; S310-I351 WeakPolarHBondContact CB-O 3.42Å; V311-I351 HydrophobicContact CG2-CB 3.92Å; V311-I351 HydrophobicContact CG2-CD1 4.14Å; V311-I351 HydrophobicContact CG2-CG1 4.28Å; V311-I351 PolarHBondContact N-O 3.27Å; V311-I351 PolarHBondContact O-N 3Å; I313-I351 HydrophobicContact CD1-CD1 3.91Å; I313-I351 HydrophobicContact CG1-CD1 4.04Å; I313-I351 HydrophobicContact CG1-CG1 4.35Å; I331-I351 HydrophobicContact CG2-CD1 3.5Å; I331-I351 HydrophobicContact CG2-CG1 4.23Å; V333-I351 HydrophobicContact CG2-CD1 4.23Å; V333-I351 HydrophobicContact CG2-CG2 3.87Å; R338-I351 HydrophobicContact CB-CG2 4.03Å; R338-I351 HydrophobicContact CG-CG2 4.13Å; L339-I351 HydrophobicContact CD2-CG1 4.17Å; L339-I351 HydrophobicContact CD2-CG2 4.44Å; I351-V354 HydrophobicContact CB-CG2 4.3Å; I351-V354 HydrophobicContact CG2-CG2 4.04Å; I351-I362 HydrophobicContact CD1-CD1 4.25Å; I351-I362 HydrophobicContact CD1-CG2 3.99Å
352D93.5Very high93.9Very high85 Ų8567.6 Ų67.646%0.45534%0.337SS..EExtended strand (participates in β ladder)trans-84.6171.5177.1-59.9-61000113Q309 S310 R338 V354Q309-D352 CarbonylContact O-C 3.55Å; S310-D352 WeakPolarHBondContact CB-OD1 3.39Å; S310-D352 PolarHBondContact OG-OD1 3.06Å; R338-D352 PolarHBondContact NH1-O 3.44Å; D352-V354 PolarHBondContact O-N 2.9Å
353N91.4Very high94Very high125 Ų12563 Ų6367%0.66832%0.315SS*.SBendtrans52.549.3-174.6-61.5-35000113Q309 R338Q309-N353 CarbonylContact O-C 3.56Å; Q309-N353 WeakPolarHBondContact O-CA 3.25Å; Q309-N353 PolarHBondContact O-N 3.18Å; R338-N353 PolarHBondContact NH2-O 2.97Å
354V94.2Very high94.4Very high4 Ų461.2 Ų61.22%0.02430%0.3CS..  trans-122.9106.9171.8-1770000108.2Q309 S310 V311 V333 I351 D352 A356 H360 V382Q309-V354 CarbonylContact C-O 3.53Å; Q309-V354 WeakPolarHBondContact CA-O 3.12Å; Q309-V354 PolarHBondContact O-N 2.61Å; S310-V354 PolarHBondContact N-O 2.83Å; V311-V354 HydrophobicContact CG1-CB 4.42Å; V311-V354 HydrophobicContact CG1-CG1 4.04Å; V311-V354 HydrophobicContact CG2-CB 4.08Å; V311-V354 HydrophobicContact CG2-CG1 4.07Å; V311-V354 HydrophobicContact CG2-CG2 3.93Å; V333-V354 HydrophobicContact CG1-CG2 4.35Å; V333-V354 HydrophobicContact CG2-CG2 4.17Å; I351-V354 HydrophobicContact CB-CG2 4.3Å; I351-V354 HydrophobicContact CG2-CG2 4.04Å; D352-V354 PolarHBondContact O-N 2.9Å; V354-A356 PolarHBondContact O-N 2.9Å; V354-H360 HydrophobicContact CG1-CB 3.92Å; V354-V382 HydrophobicContact CG1-CG2 4.33Å
355D93Very high94.8Very high42 Ų4253.4 Ų53.423%0.22527%0.265CS..  trans-77119.9-171.4179.2-11.1000111.8D357 K358 H360D355-D357 PolarHBondContact O-N 2.72Å; D355-D357 PolarHBondContact OD1-N 3.02Å; D355-K358 HydrophobicContact CB-CB 4.37Å; D355-K358 HydrophobicContact CB-CG 4.35Å; D355-K358 PolarHBondContact O-N 3.22Å; D355-K358 VanDerWaalsContact O-N 3.16Å; D355-K358 VanDerWaalsContact O-O 3.11Å; D355-K358 IonicContact OD2-NZ 3.59Å; D355-K358 PolarHBondContact OD2-NZ 3.12Å; D355-H360 PolarHBondContact N-CD2 3.4Å; D355-H360 PolarHBondContact N-NE2 3.03Å; D355-H360 VanDerWaalsContact N-NE2 3.16Å; D355-H360 PolarHBondContact O-CD2 2.94Å; D355-H360 VanDerWaalsContact O-CD2 3.29Å
356A91.1Very high94.9Very high20 Ų2048.7 Ų48.717%0.16524%0.243CC..THydrogen-bonded Turntrans-59.8-29.6-179.200000114.5Q306 F308 V354 K358 R384Q306-A356 HydrophobicContact CG-CB 4.49Å; Q306-A356 VanDerWaalsContact NE2-CA 3.33Å; Q306-A356 VanDerWaalsContact NE2-CB 3.32Å; Q306-A356 PolarHBondContact NE2-O 3.45Å; F308-A356 WeakPolarHBondContact O-CB 3.23Å; F308-A356 PolarHBondContact O-N 2.75Å; V354-A356 PolarHBondContact O-N 2.9Å; A356-K358 VanDerWaalsContact C-N 3.32Å; A356-R384 WeakPolarHBondContact O-CB 3.31Å; A356-R384 PolarHBondContact O-N 2.83Å
357D91.9Very high94.9Very high86 Ų8646.1 Ų46.146%0.4623%0.233SC..THydrogen-bonded Turntrans-860.1-178.6-91.8-44.5000113.7D355 R384D355-D357 PolarHBondContact O-N 2.72Å; D355-D357 PolarHBondContact OD1-N 3.02Å; D357-R384 WeakPolarHBondContact OD1-CD 3.37Å; D357-R384 IonicContact OD1-CZ 2.75Å; D357-R384 IonicContact OD1-NE 2.91Å; D357-R384 IonicContact OD1-NH1 3.31Å; D357-R384 PolarHBondContact OD1-NH1 3.08Å
358K91.7Very high94.6Very high116 Ų11645.1 Ų45.150%0.50423%0.228SC..SBendtrans-118148.4173.8-62.1-171.9-176.882.80111.8D355 A356 H360 G383D355-K358 HydrophobicContact CB-CB 4.37Å; D355-K358 HydrophobicContact CB-CG 4.35Å; D355-K358 PolarHBondContact O-N 3.22Å; D355-K358 VanDerWaalsContact O-N 3.16Å; D355-K358 VanDerWaalsContact O-O 3.11Å; D355-K358 IonicContact OD2-NZ 3.59Å; D355-K358 PolarHBondContact OD2-NZ 3.12Å; A356-K358 VanDerWaalsContact C-N 3.32Å; K358-H360 PolarHBondContact O-N 2.92Å; K358-G383 WeakPolarHBondContact O-CA 3.33Å
359P92.1Very high94Very high79 Ų7944.1 Ų44.151%0.51324%0.24SC..  trans-79.5115.3173.230.6-31.7000110.4V381 V382 R384P359-V381 HydrophobicContact CB-CG1 4.41Å; P359-V382 WeakPolarHBondContact CA-O 3.43Å; P359-R384 WeakPolarHBondContact CD-O 3.38Å
360H95.3Very high93.2Very high26 Ų2649.2 Ų49.212%0.1226%0.262CS..EExtended strand (participates in β ladder)trans-112.1140.3-179.5-75.7-75.2000111.2V333 D334 V354 D355 K358 V381 V382V333-H360 HydrophobicContact CG1-CB 4.36Å; D334-H360 IonicContact OD2-CE1 2.72Å; D334-H360 IonicContact OD2-CG 3.2Å; D334-H360 IonicContact OD2-ND1 3.56Å; D334-H360 PolarHBondContact OD2-ND1 3.25Å; V354-H360 HydrophobicContact CG1-CB 3.92Å; D355-H360 PolarHBondContact N-CD2 3.4Å; D355-H360 PolarHBondContact N-NE2 3.03Å; D355-H360 VanDerWaalsContact N-NE2 3.16Å; D355-H360 PolarHBondContact O-CD2 2.94Å; D355-H360 VanDerWaalsContact O-CD2 3.29Å; K358-H360 PolarHBondContact O-N 2.92Å; H360-V381 CarbonylContact O-C 3.45Å; H360-V381 WeakPolarHBondContact O-CA 3.38Å; H360-V382 HydrophobicContact CB-CG2 4.07Å; H360-V382 PolarHBondContact N-O 3.02Å; H360-V382 PolarHBondContact O-N 2.91Å
361R95.8Very high92.8Very high43 Ų4346.9 Ų46.916%0.16226%0.259CS..EExtended strand (participates in β ladder)trans-99.5111175.6175.8172.5-71.1-80.94.5111.4V333 D334 T379 V381 P409V333-R361 CarbonylContact C-O 3.57Å; V333-R361 WeakPolarHBondContact CA-O 3.22Å; D334-R361 PolarHBondContact N-O 3.02Å; D334-R361 PolarHBondContact OD1-N 3.18Å; R361-T379 WeakPolarHBondContact CG-OG1 3.25Å; R361-T379 VanDerWaalsContact NH1-CG2 3.32Å; R361-T379 PolarHBondContact NH1-OG1 2.78Å; R361-V381 HydrophobicContact CB-CG2 4.39Å; R361-P409 PolarHBondContact NH1-O 3.05Å; R361-P409 PolarHBondContact NH2-O 3.26Å
362I97.3Very high92.6Very high0 Ų050.3 Ų50.30%028%0.275CS..EExtended strand (participates in β ladder)trans-86.2139.6169.3-49.8177.9000109I301 V311 I313 I331 Y332 I351 T379 L380 V382I301-I362 HydrophobicContact CD1-CG2 4.39Å; V311-I362 HydrophobicContact CG2-CD1 3.81Å; I313-I362 HydrophobicContact CD1-CG2 4.11Å; I313-I362 HydrophobicContact CG2-CD1 3.6Å; I331-I362 HydrophobicContact CG2-CG2 4.33Å; Y332-I362 CarbonylContact O-C 3.52Å; Y332-I362 WeakPolarHBondContact O-CA 3.49Å; I351-I362 HydrophobicContact CD1-CD1 4.25Å; I351-I362 HydrophobicContact CD1-CG2 3.99Å; I362-T379 CarbonylContact O-C 3.59Å; I362-T379 VanDerWaalsContact O-CA 3.22Å; I362-T379 WeakPolarHBondContact O-CA 3.48Å; I362-T379 WeakPolarHBondContact O-CB 3.33Å; I362-T379 PolarHBondContact O-OG1 3.16Å; I362-L380 PolarHBondContact N-O 3.48Å; I362-L380 PolarHBondContact O-N 2.62Å; I362-V382 HydrophobicContact CD1-CB 4.46Å; I362-V382 HydrophobicContact CD1-CG1 3.71Å; I362-V382 HydrophobicContact CD1-CG2 3.86Å; I362-V382 HydrophobicContact CG1-CG1 4.31Å; I362-V382 HydrophobicContact CG1-CG2 4.09Å
363S97.6Very high92.6Very high4 Ų446.3 Ų46.33%0.02825%0.254CS..EExtended strand (participates in β ladder)trans-142.6147173.4-46.70000110.8Y332 C378 T379Y332-S363 PolarHBondContact N-O 2.85Å; Y332-S363 PolarHBondContact O-N 2.88Å; S363-C378 WeakPolarHBondContact CA-O 3.27Å; S363-T379 PolarHBondContact OG-OG1 2.83Å; S363-T379 VanDerWaalsContact OG-OG1 3.07Å
364I97.8Very high92.7Very high0 Ų045.1 Ų45.10%024%0.243CC..EExtended strand (participates in β ladder)trans-128.7127.5-176.2-45.7177.7000110.2P298 I301 I313 W315 H330 I331 C378P298-I364 HydrophobicContact CG-CB 4.26Å; P298-I364 HydrophobicContact CG-CG2 3.91Å; I301-I364 HydrophobicContact CD1-CD1 3.64Å; I301-I364 HydrophobicContact CD1-CG1 3.84Å; I301-I364 HydrophobicContact CG1-CD1 3.99Å; I313-I364 HydrophobicContact CD1-CD1 3.84Å; I313-I364 HydrophobicContact CD1-CG1 4.46Å; W315-I364 HydrophobicContact CB-CD1 4.15Å; W315-I364 HydrophobicContact CD2-CD1 3.66Å; W315-I364 HydrophobicContact CE3-CD1 3.42Å; W315-I364 VanDerWaalsContact CE3-CD1 3.42Å; W315-I364 HydrophobicContact CG-CD1 3.99Å; W315-I364 HydrophobicContact CZ3-CD1 4.12Å; H330-I364 WeakPolarHBondContact O-CA 3.36Å; I331-I364 HydrophobicContact CG1-CG1 4.33Å; I331-I364 HydrophobicContact CG1-CG2 4.16Å; I364-C378 PolarHBondContact N-O 3.48Å; I364-C378 WeakPolarHBondContact O-CB 3.32Å
365R96.2Very high92.8Very high45 Ų4547 Ų4717%0.1725%0.253CS..EExtended strand (participates in β ladder)trans-109.7126177.7-57.9-175-170.5160.27.8110.8Y329 H330 Y332 I367 S373 D375Y329-R365 CarbonylContact C-O 3.59Å; Y329-R365 WeakPolarHBondContact CA-O 3.38Å; H330-R365 PolarHBondContact N-O 2.96Å; H330-R365 PolarHBondContact O-N 2.84Å; Y332-R365 HydrophobicContact CD2-CG 4.15Å; Y332-R365 HydrophobicContact CE2-CB 4.23Å; Y332-R365 HydrophobicContact CE2-CG 3.74Å; Y332-R365 PolarHBondContact OH-NH1 3.39Å; R365-I367 HydrophobicContact CB-CD1 4.21Å; R365-S373 WeakPolarHBondContact CA-OG 3.26Å; R365-S373 WeakPolarHBondContact CD-O 3.49Å; R365-S373 WeakPolarHBondContact CG-O 3.42Å; R365-D375 IonicContact CZ-OD1 3.77Å; R365-D375 IonicContact CZ-OD2 3.65Å; R365-D375 IonicContact NE-OD1 3.39Å; R365-D375 PolarHBondContact NE-OD1 2.8Å; R365-D375 IonicContact NE-OD2 2.72Å; R365-D375 IonicContact NH2-OD1 3.22Å; R365-D375 PolarHBondContact NH2-OD1 3.13Å; R365-D375 VanDerWaalsContact NH2-OD1 3.16Å; R365-D375 IonicContact NH2-OD2 3.01Å; R365-D375 PolarHBondContact NH2-OD2 2.74Å
366S95.1Very high92.9Very high0 Ų045.3 Ų45.30%025%0.245CC..EExtended strand (participates in β ladder)trans-68.2129.5161.6-58.70000108.9P296 P298 Q372 S373P296-S366 WeakPolarHBondContact O-CB 3.41Å; P296-S366 PolarHBondContact O-OG 3.01Å; P298-S366 VanDerWaalsContact CD-OG 3.27Å; P298-S366 WeakPolarHBondContact CD-OG 3.41Å; S366-Q372 VanDerWaalsContact O-CA 3.3Å; S366-Q372 WeakPolarHBondContact O-CA 3.18Å; S366-S373 PolarHBondContact N-OG 2.87Å; S366-S373 PolarHBondContact O-N 2.93Å
367I94.1Very high93Very high31 Ų3146 Ų4616%0.15925%0.245CC..EExtended strand (participates in β ladder)trans-104.8143.7173.9-50.2-56.9000109.2V326 S327 A328 H330 R365 Q372V326-I367 CarbonylContact C-O 3.6Å; V326-I367 VanDerWaalsContact CA-O 3.31Å; V326-I367 WeakPolarHBondContact CA-O 3.36Å; V326-I367 WeakPolarHBondContact CG1-O 3.28Å; S327-I367 PolarHBondContact N-O 3.01Å; S327-I367 PolarHBondContact OG-O 3.17Å; A328-I367 WeakPolarHBondContact O-CB 3.45Å; A328-I367 PolarHBondContact O-N 3.48Å; H330-I367 HydrophobicContact CB-CD1 4.13Å; H330-I367 HydrophobicContact CB-CG1 4.22Å; H330-I367 VanDerWaalsContact CD2-CG1 3.45Å; H330-I367 WeakPolarHBondContact CD2-CG1 3.43Å; R365-I367 HydrophobicContact CB-CD1 4.21Å; I367-Q372 HydrophobicContact CD1-CB 3.61Å
368S90Very high93.2Very high14 Ų1441.9 Ų41.910%0.09822%0.223CC..EExtended strand (participates in β ladder)trans-153170176.9680000110.7V295 I325 H370 G371V295-S368 WeakPolarHBondContact CG2-OG 3.33Å; I325-S368 WeakPolarHBondContact O-CB 2.98Å; S368-H370 PolarHBondContact O-N 3.04Å; S368-H370 PolarHBondContact OG-N 2.91Å; S368-G371 PolarHBondContact N-O 2.99Å; S368-G371 PolarHBondContact O-N 3.39Å; S368-G371 VanDerWaalsContact O-O 3.13Å; S368-G371 PolarHBondContact OG-N 2.73Å; S368-G371 PolarHBondContact OG-O 3.43Å; S368-G371 VanDerWaalsContact OG-O 3.13Å
369S84.7Confident93.5Very high108 Ų10836.3 Ų36.376%0.75520%0.199SC*.THydrogen-bonded Turntrans-58.8-11.6168.753.30000114.7
370H81.2Confident93.7Very high116 Ų11633 Ų3354%0.53718%0.176SC..THydrogen-bonded Turntrans-1059.9177.9-58.886000112.9V295 S368V295-H370 HydrophobicContact CG2-CB 4.35Å; S368-H370 PolarHBondContact O-N 3.04Å; S368-H370 PolarHBondContact OG-N 2.91Å
371G88.5Confident93.6Very high38 Ų3832.7 Ų32.739%0.39218%0.176SC..EExtended strand (participates in β ladder)trans111.6-150.3178.700000113.6S368S368-G371 PolarHBondContact N-O 2.99Å; S368-G371 PolarHBondContact O-N 3.39Å; S368-G371 VanDerWaalsContact O-O 3.13Å; S368-G371 PolarHBondContact OG-N 2.73Å; S368-G371 PolarHBondContact OG-O 3.43Å; S368-G371 VanDerWaalsContact OG-O 3.13Å
372Q92.4Very high93.6Very high74 Ų7430.7 Ų30.735%0.34617%0.169SC..EExtended strand (participates in β ladder)trans-133.5145.5-172.761.8-178-70.100113.3S366 I367S366-Q372 VanDerWaalsContact O-CA 3.3Å; S366-Q372 WeakPolarHBondContact O-CA 3.18Å; I367-Q372 HydrophobicContact CD1-CB 3.61Å
373S93.7Very high93.3Very high2 Ų231 Ų311%0.01417%0.172CC..  trans-70.6170.7172.974.40000112.1V295 R365 S366V295-S373 WeakPolarHBondContact O-CB 3.49Å; R365-S373 WeakPolarHBondContact CA-OG 3.26Å; R365-S373 WeakPolarHBondContact CD-O 3.49Å; R365-S373 WeakPolarHBondContact CG-O 3.42Å; S366-S373 PolarHBondContact N-OG 2.87Å; S366-S373 PolarHBondContact O-N 2.93Å
374K93.7Very high92.8Very high99 Ų9938.7 Ų38.743%0.4320%0.2SC..  trans-104.3141.8-175.8-51.3-53-179.4-163.40111.9A376 Q377K374-A376 VanDerWaalsContact C-N 3.29Å; K374-A376 PolarHBondContact O-N 2.94Å; K374-A376 VanDerWaalsContact O-N 3.16Å; K374-Q377 HydrophobicContact CB-CG 4.42Å; K374-Q377 VanDerWaalsContact O-CB 3.29Å; K374-Q377 WeakPolarHBondContact O-CB 3.31Å; K374-Q377 PolarHBondContact O-N 3.32Å
375D95.4Very high91.9Very high43 Ų4341.8 Ų41.823%0.2323%0.232CC..G310 helixtrans-49.4-45.3-176.6-56.8-45.8000113.7R365 Q377 C378 T379R365-D375 IonicContact CZ-OD1 3.77Å; R365-D375 IonicContact CZ-OD2 3.65Å; R365-D375 IonicContact NE-OD1 3.39Å; R365-D375 PolarHBondContact NE-OD1 2.8Å; R365-D375 IonicContact NE-OD2 2.72Å; R365-D375 IonicContact NH2-OD1 3.22Å; R365-D375 PolarHBondContact NH2-OD1 3.13Å; R365-D375 VanDerWaalsContact NH2-OD1 3.16Å; R365-D375 IonicContact NH2-OD2 3.01Å; R365-D375 PolarHBondContact NH2-OD2 2.74Å; D375-Q377 PolarHBondContact O-N 3.47Å; D375-C378 CarbonylContact O-C 3.51Å; D375-C378 PolarHBondContact O-N 3.35Å; D375-C378 VanDerWaalsContact O-O 3.08Å; D375-T379 VanDerWaalsContact O-CB 3.3Å; D375-T379 WeakPolarHBondContact O-CB 3.05Å; D375-T379 WeakPolarHBondContact O-CG2 3.43Å
376A95.1Very high91.4Very high7 Ų744.4 Ų44.46%0.05825%0.247CC..G310 helixtrans-65.5-8.3-177.900000114.6K374 I408 P409 Y433K374-A376 VanDerWaalsContact C-N 3.29Å; K374-A376 PolarHBondContact O-N 2.94Å; K374-A376 VanDerWaalsContact O-N 3.16Å; A376-I408 HydrophobicContact CB-CB 4.46Å; A376-I408 HydrophobicContact CB-CG1 4.38Å; A376-I408 HydrophobicContact CB-CG2 4.16Å; A376-P409 WeakPolarHBondContact O-CD 2.95Å; A376-Y433 HydrophobicContact CB-CD1 4.14Å; A376-Y433 HydrophobicContact CB-CD2 3.32Å; A376-Y433 HydrophobicContact CB-CE2 3.84Å; A376-Y433 HydrophobicContact CB-CG 3.49Å; A376-Y433 VanDerWaalsContact CB-CG 3.49Å
377Q94.7Very high90.9Very high34 Ų3446.9 Ų46.916%0.15926%0.262CS..G310 helixtrans-84.7-25.8171.4-58175.7-78.600112.6A297 K374 D375 G431 Y433A297-Q377 HydrophobicContact CB-CB 3.38Å; A297-Q377 HydrophobicContact CB-CG 4.29Å; K374-Q377 HydrophobicContact CB-CG 4.42Å; K374-Q377 VanDerWaalsContact O-CB 3.29Å; K374-Q377 WeakPolarHBondContact O-CB 3.31Å; K374-Q377 PolarHBondContact O-N 3.32Å; D375-Q377 PolarHBondContact O-N 3.47Å; Q377-G431 WeakPolarHBondContact O-CA 3.35Å; Q377-Y433 HydrophobicContact CG-CD1 3.71Å; Q377-Y433 HydrophobicContact CG-CE1 3.34Å
378C95.9Very high90.5Very high0 Ų045.9 Ų45.90%026%0.259CS..SBendtrans-148.192.1-178.8-164.10000110.2A297 P298 S363 I364 D375 S412A297-C378 HydrophobicContact CB-CB 4.44Å; P298-C378 WeakPolarHBondContact O-CB 3.48Å; P298-C378 PolarHBondContact O-SG 2.92Å; S363-C378 WeakPolarHBondContact CA-O 3.27Å; I364-C378 PolarHBondContact N-O 3.48Å; I364-C378 WeakPolarHBondContact O-CB 3.32Å; D375-C378 CarbonylContact O-C 3.51Å; D375-C378 PolarHBondContact O-N 3.35Å; D375-C378 VanDerWaalsContact O-O 3.08Å; C378-S412 WeakPolarHBondContact CA-OG 3.12Å
379T96.8Very high90.5Very high0 Ų046.9 Ų46.90%027%0.265CS..EExtended strand (participates in β ladder)trans-154.7146.2-174.4-178.20000112.4R361 I362 S363 D375 I408 N411 S412R361-T379 WeakPolarHBondContact CG-OG1 3.25Å; R361-T379 VanDerWaalsContact NH1-CG2 3.32Å; R361-T379 PolarHBondContact NH1-OG1 2.78Å; I362-T379 CarbonylContact O-C 3.59Å; I362-T379 VanDerWaalsContact O-CA 3.22Å; I362-T379 WeakPolarHBondContact O-CA 3.48Å; I362-T379 WeakPolarHBondContact O-CB 3.33Å; I362-T379 PolarHBondContact O-OG1 3.16Å; S363-T379 PolarHBondContact OG-OG1 2.83Å; S363-T379 VanDerWaalsContact OG-OG1 3.07Å; D375-T379 VanDerWaalsContact O-CB 3.3Å; D375-T379 WeakPolarHBondContact O-CB 3.05Å; D375-T379 WeakPolarHBondContact O-CG2 3.43Å; T379-I408 HydrophobicContact CG2-CG2 4.19Å; T379-N411 CarbonylContact O-C 3.55Å; T379-N411 WeakPolarHBondContact O-CA 3.48Å; T379-S412 PolarHBondContact N-OG 2.86Å; T379-S412 PolarHBondContact O-N 2.92Å; T379-S412 PolarHBondContact O-OG 2.94Å
380L95.7Very high90.9Very high8 Ų842 Ų424%0.04223%0.23CC..EExtended strand (participates in β ladder)trans-139.9128.5-178.3177.360.7000109.6I301 L303 I362 V382 N411I301-L380 HydrophobicContact CD1-CB 3.92Å; I301-L380 HydrophobicContact CG1-CB 4.21Å; I301-L380 HydrophobicContact CG2-CB 4.14Å; L303-L380 HydrophobicContact CB-CD2 3.85Å; I362-L380 PolarHBondContact N-O 3.48Å; I362-L380 PolarHBondContact O-N 2.62Å; L380-V382 HydrophobicContact CD2-CG1 3.94Å; L380-V382 HydrophobicContact CG-CG1 3.84Å; L380-N411 HydrophobicContact CD1-CB 3.89Å; L380-N411 WeakPolarHBondContact CD1-ND2 3.44Å
381V95.1Very high91.4Very high20 Ų2038.1 Ų38.112%0.12122%0.218CC..EExtended strand (participates in β ladder)trans-85.7127.9165.6-177.80000109.1P359 H360 R361 M386 G410P359-V381 HydrophobicContact CB-CG1 4.41Å; H360-V381 CarbonylContact O-C 3.45Å; H360-V381 WeakPolarHBondContact O-CA 3.38Å; R361-V381 HydrophobicContact CB-CG2 4.39Å; V381-M386 HydrophobicContact CG1-CB 4.08Å; V381-M386 WeakPolarHBondContact O-CE 3.16Å; V381-G410 PolarHBondContact N-O 2.79Å
382V94.3Very high91.6Very high1 Ų146 Ų461%0.00624%0.236CC..EExtended strand (participates in β ladder)trans-119.4176178.4-55.30000110.3L303 V311 V354 P359 H360 I362 L380L303-V382 HydrophobicContact CB-CG1 4.37Å; L303-V382 HydrophobicContact CD1-CG1 4.27Å; L303-V382 HydrophobicContact CD2-CB 4.17Å; L303-V382 HydrophobicContact CD2-CG1 3.9Å; L303-V382 HydrophobicContact CG-CG1 4.42Å; V311-V382 HydrophobicContact CG1-CG2 4.42Å; V354-V382 HydrophobicContact CG1-CG2 4.33Å; P359-V382 WeakPolarHBondContact CA-O 3.43Å; H360-V382 HydrophobicContact CB-CG2 4.07Å; H360-V382 PolarHBondContact N-O 3.02Å; H360-V382 PolarHBondContact O-N 2.91Å; I362-V382 HydrophobicContact CD1-CB 4.46Å; I362-V382 HydrophobicContact CD1-CG1 3.71Å; I362-V382 HydrophobicContact CD1-CG2 3.86Å; I362-V382 HydrophobicContact CG1-CG1 4.31Å; I362-V382 HydrophobicContact CG1-CG2 4.09Å; L380-V382 HydrophobicContact CD2-CG1 3.94Å; L380-V382 HydrophobicContact CG-CG1 3.84Å
383G91Very high91.8Very high6 Ų643.5 Ų43.56%0.06223%0.225CC..SBendtrans81.3177175.200000115K358 G385 M386K358-G383 WeakPolarHBondContact O-CA 3.33Å; G383-G385 PolarHBondContact O-N 2.88Å; G383-M386 VanDerWaalsContact O-CB 3.3Å; G383-M386 WeakPolarHBondContact O-CB 3.15Å; G383-M386 WeakPolarHBondContact O-CG 3.39Å; G383-M386 PolarHBondContact O-N 3.12Å
384R86.9Confident91.8Very high167 Ų16748.9 Ų48.963%0.6325%0.248SC*.THydrogen-bonded Turntrans-63.1121.3-172.3-177.6168.7179.8152.1-3111.8A356 D357 P359A356-R384 WeakPolarHBondContact O-CB 3.31Å; A356-R384 PolarHBondContact O-N 2.83Å; D357-R384 WeakPolarHBondContact OD1-CD 3.37Å; D357-R384 IonicContact OD1-CZ 2.75Å; D357-R384 IonicContact OD1-NE 2.91Å; D357-R384 IonicContact OD1-NH1 3.31Å; D357-R384 PolarHBondContact OD1-NH1 3.08Å; P359-R384 WeakPolarHBondContact CD-O 3.38Å
385G79.9Confident91.9Very high64 Ų6445.1 Ų45.166%0.6624%0.235SC*.THydrogen-bonded Turntrans87.710-175.800000114.6G383G383-G385 PolarHBondContact O-N 2.88Å
386M84.8Confident91.7Very high100 Ų10045.3 Ų45.349%0.49324%0.238SC..  trans-48.1145.8169.362.8176.5-73.300112.4V381 G383V381-M386 HydrophobicContact CG1-CB 4.08Å; V381-M386 WeakPolarHBondContact O-CE 3.16Å; G383-M386 VanDerWaalsContact O-CB 3.3Å; G383-M386 WeakPolarHBondContact O-CB 3.15Å; G383-M386 WeakPolarHBondContact O-CG 3.39Å; G383-M386 PolarHBondContact O-N 3.12Å
387T85Confident91.2Very high52 Ų5251.5 Ų51.532%0.31927%0.266SS..  trans-153145.7-177.9-174.40000110.8T389 G410 K481T387-T389 WeakPolarHBondContact CG2-OG1 3.49Å; T387-T389 PolarHBondContact O-N 2.82Å; T387-T389 PolarHBondContact OG1-N 2.94Å; T387-T389 PolarHBondContact OG1-OG1 2.72Å; T387-G410 WeakPolarHBondContact O-CA 3.44Å; T387-K481 PolarHBondContact OG1-O 2.79Å
388A85.4Confident90.8Very high11 Ų1152.5 Ų52.59%0.09127%0.272CS..  trans-80.4-1175.100000113.2Y414 A452 L482A388-Y414 HydrophobicContact CB-CD1 4.16Å; A388-Y414 HydrophobicContact CB-CE1 3.9Å; A388-Y414 HydrophobicContact CB-CE2 4.32Å; A388-A452 HydrophobicContact CB-CB 4.21Å; A388-A452 WeakPolarHBondContact O-CB 3.46Å; A388-L482 HydrophobicContact CB-CD2 3.9Å
389T90.3Very high89.8Confident35 Ų3553.4 Ų53.422%0.21528%0.281CS..PPolyproline II helixtrans-50.2130.6177.9-27.30000111.6T387 A391 G410 K481 A483 A484T387-T389 WeakPolarHBondContact CG2-OG1 3.49Å; T387-T389 PolarHBondContact O-N 2.82Å; T387-T389 PolarHBondContact OG1-N 2.94Å; T387-T389 PolarHBondContact OG1-OG1 2.72Å; T389-A391 PolarHBondContact O-N 2.82Å; T389-G410 WeakPolarHBondContact O-CA 3.42Å; T389-G410 PolarHBondContact O-N 2.92Å; T389-K481 WeakPolarHBondContact CB-O 3.39Å; T389-K481 PolarHBondContact OG1-O 2.87Å; T389-A483 VanDerWaalsContact CG2-O 3.29Å; T389-A483 WeakPolarHBondContact CG2-O 3.41Å; T389-A484 HydrophobicContact CG2-CB 4.46Å
390P93.8Very high88.7Confident5 Ų554.3 Ų54.33%0.03229%0.287CS..PPolyproline II helixtrans-61.2124.2169.3-2435.9000110.8W407 V450 A484P390-W407 HydrophobicContact CB-CB 4.25Å; P390-W407 HydrophobicContact CB-CG 4.23Å; P390-V450 HydrophobicContact CB-CG1 4.4Å; P390-V450 HydrophobicContact CG-CB 4.38Å; P390-V450 HydrophobicContact CG-CG1 4.01Å; P390-A484 HydrophobicContact CB-CB 4.16Å; P390-A484 WeakPolarHBondContact O-CB 3.38Å
391A92Very high88Confident34 Ų3455.7 Ų55.728%0.28129%0.293SS..EExtended strand (participates in β ladder)trans-96.2156.4178.900000111.5T389 L393 I408T389-A391 PolarHBondContact O-N 2.82Å; A391-L393 PolarHBondContact O-N 2.96Å; A391-L393 VanDerWaalsContact O-N 3.13Å; A391-I408 PolarHBondContact N-O 2.97Å; A391-I408 PolarHBondContact O-N 2.8Å
392R92.4Very high87.5Confident204 Ų20456 Ų5677%0.7730%0.296SS*.EExtended strand (participates in β ladder)trans51.535.8174.1-51.2-173-172.2162.4-0.5114.2K394 I408R392-K394 PolarHBondContact O-N 2.78Å; R392-I408 HydrophobicContact CB-CG1 4.48Å; R392-I408 HydrophobicContact CG-CD1 4.43Å
393L95.1Very high87.3Confident22 Ų2256 Ų5612%0.11530%0.296CS..EExtended strand (participates in β ladder)trans-57126.5173.1176.861.2000109.8A391 S406 W407 V450 A484 I486A391-L393 PolarHBondContact O-N 2.96Å; A391-L393 VanDerWaalsContact O-N 3.13Å; L393-S406 CarbonylContact C-O 3.53Å; L393-S406 WeakPolarHBondContact CA-O 3.38Å; L393-W407 HydrophobicContact CB-CB 4.38Å; L393-W407 HydrophobicContact CD1-CB 4.12Å; L393-W407 HydrophobicContact CD1-CE3 4.15Å; L393-V450 HydrophobicContact CD1-CG2 3.66Å; L393-V450 HydrophobicContact CD2-CB 4.34Å; L393-V450 HydrophobicContact CD2-CG2 3.9Å; L393-V450 HydrophobicContact CG-CG2 4.46Å; L393-A484 HydrophobicContact CB-CB 4.35Å; L393-A484 HydrophobicContact CD2-CB 4.15Å; L393-A484 WeakPolarHBondContact CD2-O 3.42Å; L393-I486 HydrophobicContact CD1-CG2 4.5Å; L393-I486 HydrophobicContact CD2-CB 4.18Å; L393-I486 HydrophobicContact CD2-CG2 3.81Å; L393-I486 HydrophobicContact CG-CB 4.22Å; L393-I486 HydrophobicContact CG-CG2 3.84Å
394K95.4Very high87.4Confident114 Ų11457.2 Ų57.250%0.49630%0.299SS..EExtended strand (participates in β ladder)trans-144.7141.6-178.864-178.7-178178.40112.3R392 T396 L405 S406R392-K394 PolarHBondContact O-N 2.78Å; K394-T396 HydrophobicContact CD-CG2 4.1Å; K394-T396 HydrophobicContact CG-CG2 4.17Å; K394-L405 CarbonylContact O-C 3.54Å; K394-L405 WeakPolarHBondContact O-CA 3.2Å; K394-S406 WeakPolarHBondContact CE-OG 3.41Å; K394-S406 VanDerWaalsContact CG-OG 3.25Å; K394-S406 WeakPolarHBondContact CG-OG 3.49Å; K394-S406 PolarHBondContact N-O 3.27Å; K394-S406 PolarHBondContact O-N 2.91Å
395A94.5Very high87.8Confident20 Ų2049.2 Ų49.217%0.16527%0.269CS..EExtended strand (participates in β ladder)trans-92.3137.3164.500000109.1I398 L405 I486 F488A395-I398 HydrophobicContact CB-CD1 4.03Å; A395-I398 HydrophobicContact CB-CG1 4.22Å; A395-L405 HydrophobicContact CB-CD2 4.27Å; A395-I486 HydrophobicContact CB-CD1 4.36Å; A395-F488 HydrophobicContact CB-CB 3.97Å; A395-F488 HydrophobicContact CB-CD1 3.74Å; A395-F488 HydrophobicContact CB-CE1 4.43Å; A395-F488 HydrophobicContact CB-CG 3.87Å
396T90.8Very high88.5Confident47 Ų4746.9 Ų46.929%0.28824%0.243SC..EExtended strand (participates in β ladder)trans-143.8164.3-177.957.30000108.8K394 I398 K404K394-T396 HydrophobicContact CD-CG2 4.1Å; K394-T396 HydrophobicContact CG-CG2 4.17Å; T396-I398 PolarHBondContact O-N 3.08Å; T396-K404 PolarHBondContact N-O 2.78Å; T396-K404 WeakPolarHBondContact O-CA 3.39Å; T396-K404 WeakPolarHBondContact O-CB 3.3Å; T396-K404 PolarHBondContact O-N 2.97Å; T396-K404 PolarHBondContact OG1-O 3.02Å
397Q85.1Confident89.1Confident138 Ų13842.3 Ų42.365%0.64522%0.22SC*.SBendtrans48.146.7-178.4-60.9-179.1-41.400111.9G399 K404Q397-G399 PolarHBondContact O-N 2.82Å; Q397-K404 HydrophobicContact CB-CB 4.14Å
398I86.1Confident89.6Confident55 Ų5541.5 Ų41.528%0.28221%0.213SC..  trans-77109.5179.6-58.8159.9000107.1A395 T396 S402 A403 F488 R489 L491A395-I398 HydrophobicContact CB-CD1 4.03Å; A395-I398 HydrophobicContact CB-CG1 4.22Å; T396-I398 PolarHBondContact O-N 3.08Å; I398-S402 CarbonylContact C-O 3.58Å; I398-S402 WeakPolarHBondContact CA-O 3.42Å; I398-A403 HydrophobicContact CG1-CB 4.16Å; I398-F488 HydrophobicContact CD1-CB 3.89Å; I398-F488 HydrophobicContact CD1-CD2 4.21Å; I398-F488 HydrophobicContact CD1-CG 4.3Å; I398-F488 HydrophobicContact CG1-CD2 4.15Å; I398-F488 HydrophobicContact CG2-CD2 3.97Å; I398-F488 HydrophobicContact CG2-CE2 4.43Å; I398-R489 WeakPolarHBondContact CG2-O 3.47Å; I398-L491 WeakPolarHBondContact O-CD1 3.48Å
399G76.1Confident90Very high19 Ų1941 Ų4120%0.19621%0.209CC..  trans-94.8-165.1174.200000111.9Q397 S402 L491Q397-G399 PolarHBondContact O-N 2.82Å; G399-S402 PolarHBondContact N-O 3.34Å; G399-L491 PolarHBondContact O-N 3.28Å
400T72.6Confident90.1Very high19 Ų1939.4 Ų39.412%0.11720%0.199CC..SBendtrans-70.4-32.1173.760.20000112.6P442 L491 P492 S537T400-P442 WeakPolarHBondContact O-CA 3.28Å; T400-P442 WeakPolarHBondContact O-CB 3.16Å; T400-L491 WeakPolarHBondContact CA-O 3.3Å; T400-L491 HydrophobicContact CG2-CB 4.22Å; T400-P492 WeakPolarHBondContact CG2-O 3.38Å; T400-S537 WeakPolarHBondContact CG2-O 3.29Å; T400-S537 WeakPolarHBondContact OG1-CA 3.28Å; T400-S537 PolarHBondContact OG1-O 3.31Å
401K80.8Confident90.1Very high37 Ų3740.3 Ų40.316%0.16120%0.204CC..SBendtrans-134.519-177-60.6-172.8173.5158.50113.7T438 D439 L440 S536K401-T438 CarbonylContact O-C 3.55Å; K401-T438 WeakPolarHBondContact O-CA 3.28Å; K401-D439 PolarHBondContact O-N 3.01Å; K401-L440 VanDerWaalsContact CA-O 3.23Å; K401-L440 WeakPolarHBondContact CA-O 3.03Å; K401-L440 WeakPolarHBondContact CB-O 3.17Å; K401-L440 WeakPolarHBondContact CG-O 3.09Å; K401-L440 PolarHBondContact O-N 2.85Å; K401-S536 VanDerWaalsContact CD-O 3.28Å; K401-S536 WeakPolarHBondContact CD-O 3.34Å; K401-S536 WeakPolarHBondContact CE-O 3.23Å; K401-S536 PolarHBondContact NZ-O 3.04Å; K401-S536 PolarHBondContact NZ-OG 3.48Å; K401-S536 VanDerWaalsContact NZ-OG 3.08Å
402S86.2Confident90.3Very high27 Ų2738.9 Ų38.919%0.18919%0.192CC..  trans-152.5157.7-175.759.20000112.8I398 G399 L437I398-S402 CarbonylContact C-O 3.58Å; I398-S402 WeakPolarHBondContact CA-O 3.42Å; G399-S402 PolarHBondContact N-O 3.34Å; S402-L437 CarbonylContact C-O 3.51Å; S402-L437 WeakPolarHBondContact CA-O 3.47Å; S402-L437 WeakPolarHBondContact CB-O 3.32Å
403A88.5Confident90.3Very high0 Ų031.4 Ų31.40%017%0.167CC..EExtended strand (participates in β ladder)trans-153.4142.2170.500000110.7I398 L437 L440 F488I398-A403 HydrophobicContact CG1-CB 4.16Å; A403-L437 PolarHBondContact N-O 2.58Å; A403-L437 PolarHBondContact O-N 2.95Å; A403-L440 HydrophobicContact CB-CD1 4.1Å; A403-F488 HydrophobicContact CB-CD2 4.1Å; A403-F488 HydrophobicContact CB-CE1 4.24Å; A403-F488 HydrophobicContact CB-CE2 3.4Å; A403-F488 HydrophobicContact CB-CZ 3.48Å; A403-F488 VanDerWaalsContact CB-CZ 3.48Å
404K93.2Very high90.2Very high31 Ų3133.4 Ų33.414%0.13517%0.174CC..EExtended strand (participates in β ladder)trans-101.2107.8175-173.7171-177.6162.50110.8E288 T396 Q397 L435E288-K404 VanDerWaalsContact CD-CE 3.45Å; E288-K404 IonicContact OE1-NZ 2.75Å; E288-K404 PolarHBondContact OE1-NZ 3.36Å; E288-K404 WeakPolarHBondContact OE2-CE 3.4Å; E288-K404 IonicContact OE2-NZ 3.37Å; E288-K404 PolarHBondContact OE2-NZ 3.22Å; T396-K404 PolarHBondContact N-O 2.78Å; T396-K404 WeakPolarHBondContact O-CA 3.39Å; T396-K404 WeakPolarHBondContact O-CB 3.3Å; T396-K404 PolarHBondContact O-N 2.97Å; T396-K404 PolarHBondContact OG1-O 3.02Å; Q397-K404 HydrophobicContact CB-CB 4.14Å; K404-L435 CarbonylContact C-O 3.45Å
405L95.1Very high90.1Very high0 Ų031.1 Ų31.10%016%0.162CC..EExtended strand (participates in β ladder)trans-78.6146.4172.8-60.6175.7000110.7K394 A395 W407 V418 K434 L435 L437 V448 F488K394-L405 CarbonylContact O-C 3.54Å; K394-L405 WeakPolarHBondContact O-CA 3.2Å; A395-L405 HydrophobicContact CB-CD2 4.27Å; L405-W407 HydrophobicContact CB-CZ3 4.21Å; L405-V418 HydrophobicContact CD1-CG1 3.98Å; L405-K434 WeakPolarHBondContact O-CA 3.47Å; L405-L435 HydrophobicContact CB-CB 4.32Å; L405-L435 PolarHBondContact N-O 2.84Å; L405-L435 PolarHBondContact O-N 3.43Å; L405-L437 HydrophobicContact CD1-CD1 3.91Å; L405-L437 HydrophobicContact CD1-CD2 4.17Å; L405-L437 HydrophobicContact CD1-CG 4.08Å; L405-L437 HydrophobicContact CG-CD1 4.2Å; L405-L437 HydrophobicContact CG-CG 4.28Å; L405-V448 HydrophobicContact CD1-CG1 3.78Å; L405-V448 HydrophobicContact CD1-CG2 4.4Å; L405-V448 HydrophobicContact CD2-CB 4.49Å; L405-V448 HydrophobicContact CD2-CG1 4.11Å; L405-V448 HydrophobicContact CD2-CG2 4.38Å; L405-F488 HydrophobicContact CD2-CE1 4.42Å
406S95.7Very high90Very high15 Ų1530.1 Ų30.111%0.10515%0.154CC..EExtended strand (participates in β ladder)trans-153.4149166.654.40000111.4L393 K394 Y433L393-S406 CarbonylContact C-O 3.53Å; L393-S406 WeakPolarHBondContact CA-O 3.38Å; K394-S406 WeakPolarHBondContact CE-OG 3.41Å; K394-S406 VanDerWaalsContact CG-OG 3.25Å; K394-S406 WeakPolarHBondContact CG-OG 3.49Å; K394-S406 PolarHBondContact N-O 3.27Å; K394-S406 PolarHBondContact O-N 2.91Å; S406-Y433 VanDerWaalsContact CA-O 3.31Å; S406-Y433 WeakPolarHBondContact CA-O 3.18Å
407W96.4Very high90.1Very high4 Ų428.6 Ų28.62%0.01514%0.143CC..EExtended strand (participates in β ladder)trans-144.6178.4179.157.995.1000110.5P390 L393 L405 H416 V418 Y433 L435 V450P390-W407 HydrophobicContact CB-CB 4.25Å; P390-W407 HydrophobicContact CB-CG 4.23Å; L393-W407 HydrophobicContact CB-CB 4.38Å; L393-W407 HydrophobicContact CD1-CB 4.12Å; L393-W407 HydrophobicContact CD1-CE3 4.15Å; L405-W407 HydrophobicContact CB-CZ3 4.21Å; W407-H416 AromaticContact CD1-CD2 3.75Å; W407-H416 AromaticContact CD1-NE2 3.89Å; W407-H416 AromaticContact CE2-CD2 3.87Å; W407-H416 HydrophobicContact CZ2-CB 3.9Å; W407-H416 AromaticContact NE1-CD2 3.08Å; W407-H416 PolarHBondContact NE1-CD2 3.3Å; W407-H416 AromaticContact NE1-CG 3.63Å; W407-H416 AromaticContact NE1-NE2 3.46Å; W407-H416 PolarHBondContact NE1-NE2 2.62Å; W407-V418 HydrophobicContact CH2-CG2 4.28Å; W407-Y433 PolarHBondContact N-O 2.69Å; W407-L435 HydrophobicContact CH2-CB 4.27Å; W407-L435 HydrophobicContact CZ3-CB 4.19Å; W407-V450 HydrophobicContact CD2-CG1 4.15Å; W407-V450 HydrophobicContact CE3-CG1 4.46Å; W407-V450 HydrophobicContact CE3-CG2 4.27Å; W407-V450 HydrophobicContact CZ2-CG1 4.31Å; W407-V450 HydrophobicContact CZ3-CG2 4.49Å
408I95.4Very high90.5Very high35 Ų3522 Ų2218%0.17911%0.113CC..EExtended strand (participates in β ladder)trans-121.5113.1167.1-52.1-175.9000107A376 T379 A391 R392A376-I408 HydrophobicContact CB-CB 4.46Å; A376-I408 HydrophobicContact CB-CG1 4.38Å; A376-I408 HydrophobicContact CB-CG2 4.16Å; T379-I408 HydrophobicContact CG2-CG2 4.19Å; A391-I408 PolarHBondContact N-O 2.97Å; A391-I408 PolarHBondContact O-N 2.8Å; R392-I408 HydrophobicContact CB-CG1 4.48Å; R392-I408 HydrophobicContact CG-CD1 4.43Å
409P95.4Very high90.8Very high0 Ų020.6 Ų20.60%010%0.104CC..  trans-51.5145.5178.9-30.337.3000113.4R361 A376 N411R361-P409 PolarHBondContact NH1-O 3.05Å; R361-P409 PolarHBondContact NH2-O 3.26Å; A376-P409 WeakPolarHBondContact O-CD 2.95Å; P409-N411 VanDerWaalsContact C-N 3.3Å
410G92.2Very high91.6Very high1 Ų119.8 Ų19.81%0.0110%0.095CC..SBendtrans-68.3-35.9165.400000111.4V381 T387 T389V381-G410 PolarHBondContact N-O 2.79Å; T387-G410 WeakPolarHBondContact O-CA 3.44Å; T389-G410 WeakPolarHBondContact O-CA 3.42Å; T389-G410 PolarHBondContact O-N 2.92Å
411N93.6Very high92.4Very high25 Ų2522.1 Ų22.113%0.13411%0.107CC..BIsolated β-bridgetrans-142122.6166.7177.1-21.6000108.1T379 L380 P409 N413 Y414T379-N411 CarbonylContact O-C 3.55Å; T379-N411 WeakPolarHBondContact O-CA 3.48Å; L380-N411 HydrophobicContact CD1-CB 3.89Å; L380-N411 WeakPolarHBondContact CD1-ND2 3.44Å; P409-N411 VanDerWaalsContact C-N 3.3Å; N411-N413 PolarHBondContact O-N 2.82Å; N411-N413 VanDerWaalsContact OD1-CB 3.24Å; N411-N413 WeakPolarHBondContact OD1-CB 3.21Å; N411-N413 PolarHBondContact OD1-N 3.02Å; N411-Y414 HydrophobicContact CB-CD2 3.65Å; N411-Y414 HydrophobicContact CB-CE2 3.85Å; N411-Y414 PolarHBondContact O-N 3.02Å
412S94.6Very high92.2Very high4 Ų424.6 Ų24.63%0.02812%0.119CC..THydrogen-bonded Turntrans-68.3-14-17754.30000114.5I301 C378 T379 Y414 P430 G431I301-S412 WeakPolarHBondContact CG2-OG 3.48Å; C378-S412 WeakPolarHBondContact CA-OG 3.12Å; T379-S412 PolarHBondContact N-OG 2.86Å; T379-S412 PolarHBondContact O-N 2.92Å; T379-S412 PolarHBondContact O-OG 2.94Å; S412-Y414 PolarHBondContact O-N 3.23Å; S412-P430 CarbonylContact O-C 3.57Å; S412-P430 WeakPolarHBondContact O-CA 3.33Å; S412-P430 WeakPolarHBondContact O-CB 3.36Å; S412-G431 PolarHBondContact O-N 2.94Å
413N93.8Very high91.9Very high46 Ų4626.1 Ų26.125%0.24613%0.127CC..THydrogen-bonded Turntrans-74.7-13.3176.8-56.9-14.7000112.7M300 I301 N411 P430M300-N413 VanDerWaalsContact CA-OD1 3.28Å; M300-N413 WeakPolarHBondContact CA-OD1 3.03Å; M300-N413 PolarHBondContact N-OD1 2.85Å; I301-N413 PolarHBondContact N-ND2 3.3Å; I301-N413 PolarHBondContact N-OD1 3Å; I301-N413 VanDerWaalsContact N-OD1 3.09Å; I301-N413 PolarHBondContact O-ND2 3.23Å; N411-N413 PolarHBondContact O-N 2.82Å; N411-N413 VanDerWaalsContact OD1-CB 3.24Å; N411-N413 WeakPolarHBondContact OD1-CB 3.21Å; N411-N413 PolarHBondContact OD1-N 3.02Å; N413-P430 VanDerWaalsContact O-CG 3.28Å; N413-P430 WeakPolarHBondContact O-CG 3.32Å
414Y92.8Very high91.7Very high65 Ų6529.8 Ų29.826%0.25515%0.152SC..SBendtrans-80.6143.7-180-77.7-120.1000111.2A388 N411 S412 H416 A452 L453 P454A388-Y414 HydrophobicContact CB-CD1 4.16Å; A388-Y414 HydrophobicContact CB-CE1 3.9Å; A388-Y414 HydrophobicContact CB-CE2 4.32Å; N411-Y414 HydrophobicContact CB-CD2 3.65Å; N411-Y414 HydrophobicContact CB-CE2 3.85Å; N411-Y414 PolarHBondContact O-N 3.02Å; S412-Y414 PolarHBondContact O-N 3.23Å; Y414-H416 PolarHBondContact O-CE1 2.68Å; Y414-H416 PolarHBondContact O-ND1 2.85Å; Y414-A452 HydrophobicContact CD1-CB 3.88Å; Y414-A452 HydrophobicContact CG-CB 4.3Å; Y414-L453 CarbonylContact C-O 3.58Å; Y414-L453 WeakPolarHBondContact CA-O 3.23Å; Y414-L453 WeakPolarHBondContact CB-O 3.11Å; Y414-L453 VanDerWaalsContact CD1-C 3.44Å; Y414-L453 WeakPolarHBondContact CD1-O 3.48Å; Y414-P454 HydrophobicContact CD1-CB 4.31Å; Y414-P454 HydrophobicContact CE1-CB 3.86Å
415Y93.3Very high91.3Very high65 Ų6529.9 Ų29.926%0.25516%0.155SC..EExtended strand (participates in β ladder)trans-68.7150.3163.8-69.5-106.8000108.9V427 C428 P430 A452 L453 P456Y415-V427 HydrophobicContact CD1-CG1 4.25Å; Y415-C428 WeakPolarHBondContact CA-O 3.23Å; Y415-P430 HydrophobicContact CD2-CG 3.78Å; Y415-P430 HydrophobicContact CE1-CG 4.46Å; Y415-P430 HydrophobicContact CE2-CG 3.59Å; Y415-P430 HydrophobicContact CG-CG 4.26Å; Y415-A452 CarbonylContact O-C 3.6Å; Y415-A452 WeakPolarHBondContact O-CA 3.41Å; Y415-L453 PolarHBondContact N-O 3.25Å; Y415-L453 PolarHBondContact O-N 2.93Å; Y415-P456 HydrophobicContact CD1-CB 4.34Å; Y415-P456 HydrophobicContact CE1-CB 4Å; Y415-P456 HydrophobicContact CE1-CG 4.21Å; Y415-P456 HydrophobicContact CE2-CG 4.29Å
416H93.1Very high90.9Very high0 Ų032.6 Ų32.60%017%0.167CC..EExtended strand (participates in β ladder)trans-123.1102.8-178.5-71.969000110.2W407 Y414 C428 V450 Q451W407-H416 AromaticContact CD1-CD2 3.75Å; W407-H416 AromaticContact CD1-NE2 3.89Å; W407-H416 AromaticContact CE2-CD2 3.87Å; W407-H416 HydrophobicContact CZ2-CB 3.9Å; W407-H416 AromaticContact NE1-CD2 3.08Å; W407-H416 PolarHBondContact NE1-CD2 3.3Å; W407-H416 AromaticContact NE1-CG 3.63Å; W407-H416 AromaticContact NE1-NE2 3.46Å; W407-H416 PolarHBondContact NE1-NE2 2.62Å; Y414-H416 PolarHBondContact O-CE1 2.68Å; Y414-H416 PolarHBondContact O-ND1 2.85Å; H416-C428 HydrophobicContact CB-CB 4.19Å; H416-C428 PolarHBondContact N-O 3.28Å; H416-C428 WeakPolarHBondContact O-CB 3.08Å; H416-C428 PolarHBondContact O-N 2.9Å; H416-C428 PolarHBondContact O-SG 2.86Å; H416-V450 HydrophobicContact CB-CG1 4.09Å; H416-Q451 CarbonylContact C-O 3.6Å; H416-Q451 WeakPolarHBondContact CA-O 3.14Å
417R92.8Very high90.7Very high15 Ų1534 Ų346%0.05718%0.175CC..EExtended strand (participates in β ladder)trans-78.8126.6173.4-176.4-177-74.9167.8-4.9108.8Y419 H426 V427 V450 Q451 L453 S462R417-Y419 HydrophobicContact CB-CE2 4.37Å; R417-Y419 WeakPolarHBondContact CD-OH 3.17Å; R417-Y419 HydrophobicContact CG-CD2 4.18Å; R417-Y419 HydrophobicContact CG-CE2 3.7Å; R417-Y419 PolarHBondContact NH1-OH 2.88Å; R417-Y419 VanDerWaalsContact NH1-OH 3.11Å; R417-H426 CarbonylContact C-O 3.32Å; R417-H426 WeakPolarHBondContact CA-O 3.08Å; R417-V427 HydrophobicContact CB-CG2 4.2Å; R417-V427 HydrophobicContact CG-CG2 4.04Å; R417-V450 WeakPolarHBondContact O-CA 3.25Å; R417-Q451 PolarHBondContact N-O 2.74Å; R417-Q451 PolarHBondContact O-N 2.71Å; R417-L453 HydrophobicContact CB-CD1 3.73Å; R417-L453 HydrophobicContact CB-CG 4.38Å; R417-S462 PolarHBondContact NH1-OG 3.47Å; R417-S462 VanDerWaalsContact NH1-OG 3.07Å; R417-S462 PolarHBondContact NH2-OG 2.83Å; R417-S462 VanDerWaalsContact NH2-OG 3.14Å
418V93.3Very high90.6Very high0 Ų033.8 Ų33.80%017%0.174CC..EExtended strand (participates in β ladder)trans-106127.1177.2-1760000108.3L405 W407 L425 H426 L435 V448 C449 V450L405-V418 HydrophobicContact CD1-CG1 3.98Å; W407-V418 HydrophobicContact CH2-CG2 4.28Å; V418-L425 WeakPolarHBondContact O-CB 3.4Å; V418-L425 PolarHBondContact O-N 2.97Å; V418-H426 PolarHBondContact N-O 2.92Å; V418-H426 PolarHBondContact O-N 2.76Å; V418-L435 HydrophobicContact CB-CD2 4.22Å; V418-L435 HydrophobicContact CG1-CD2 4.3Å; V418-L435 HydrophobicContact CG2-CD2 3.9Å; V418-V448 HydrophobicContact CG1-CG1 4.09Å; V418-C449 CarbonylContact C-O 3.41Å; V418-C449 WeakPolarHBondContact CA-O 3.35Å; V418-V450 HydrophobicContact CG1-CG2 4.44Å; V418-V450 HydrophobicContact CG2-CG1 4.35Å; V418-V450 HydrophobicContact CG2-CG2 4.18Å
419Y92.1Very high90.4Very high25 Ų2538.6 Ų38.610%0.09819%0.193CC..EExtended strand (participates in β ladder)trans-107.5142.3170.5-62-104.2000109.2R417 T423 V448 C449 Q451R417-Y419 HydrophobicContact CB-CE2 4.37Å; R417-Y419 WeakPolarHBondContact CD-OH 3.17Å; R417-Y419 HydrophobicContact CG-CD2 4.18Å; R417-Y419 HydrophobicContact CG-CE2 3.7Å; R417-Y419 PolarHBondContact NH1-OH 2.88Å; R417-Y419 VanDerWaalsContact NH1-OH 3.11Å; Y419-T423 CarbonylContact C-O 3.52Å; Y419-T423 WeakPolarHBondContact CA-O 3.12Å; Y419-T423 WeakPolarHBondContact CB-O 3.44Å; Y419-V448 WeakPolarHBondContact O-CA 3.49Å; Y419-C449 HydrophobicContact CD2-CB 4.5Å; Y419-C449 PolarHBondContact N-O 2.8Å; Y419-C449 PolarHBondContact O-N 2.79Å; Y419-Q451 HydrophobicContact CE2-CB 4.45Å
420L91.8Very high90.2Very high2 Ų241.1 Ų41.11%0.0121%0.21CC..EExtended strand (participates in β ladder)trans-130.5118.4177.5173.869.9000108.1F283 E422 T423 L425 L437 L440 H446 V448F283-L420 HydrophobicContact CD2-CD2 3.91Å; F283-L420 HydrophobicContact CE2-CD2 3.92Å; F283-L420 HydrophobicContact CG-CD2 4.36Å; F283-L420 HydrophobicContact CZ-CD2 4.41Å; L420-E422 VanDerWaalsContact C-N 3.27Å; L420-E422 PolarHBondContact O-N 2.82Å; L420-T423 PolarHBondContact N-O 2.74Å; L420-T423 PolarHBondContact O-N 2.97Å; L420-T423 PolarHBondContact O-OG1 3.01Å; L420-T423 VanDerWaalsContact O-OG1 3.07Å; L420-L425 HydrophobicContact CB-CB 4.2Å; L420-L425 HydrophobicContact CB-CD2 3.92Å; L420-L425 HydrophobicContact CD2-CD2 3.96Å; L420-L437 HydrophobicContact CD1-CD1 4.19Å; L420-L440 HydrophobicContact CD1-CD2 4.49Å; L420-L440 HydrophobicContact CD2-CD2 3.61Å; L420-H446 HydrophobicContact CD1-CB 3.9Å; L420-V448 HydrophobicContact CD1-CG2 3.58Å
421N89.3Confident90.1Very high68 Ų6842.1 Ų42.136%0.36422%0.22SC..THydrogen-bonded Turntrans46.655.3-174.5-65.32.1000111.1T423 H446 Q447N421-T423 PolarHBondContact O-N 3.41Å; N421-H446 PolarHBondContact ND2-ND1 3.5Å; N421-H446 VanDerWaalsContact OD1-CA 3.23Å; N421-H446 WeakPolarHBondContact OD1-CA 3.31Å; N421-Q447 PolarHBondContact N-O 2.84Å; N421-Q447 PolarHBondContact OD1-N 2.85Å; N421-Q447 PolarHBondContact OD1-O 2.82Å
422E77.4Confident90.1Very high88 Ų8842.4 Ų42.441%0.41122%0.223SC..THydrogen-bonded Turntrans70.9-23.5176.2-59.7172.8-12400117L420 P467 W469L420-E422 VanDerWaalsContact C-N 3.27Å; L420-E422 PolarHBondContact O-N 2.82Å; E422-P467 HydrophobicContact CB-CB 4.13Å; E422-P467 HydrophobicContact CB-CG 3.78Å; E422-P467 HydrophobicContact CG-CB 4.21Å; E422-P467 HydrophobicContact CG-CG 3.83Å; E422-W469 HydrophobicContact CG-CZ2 4.41Å; E422-W469 WeakPolarHBondContact OE2-CZ2 3.22Å
423T80.3Confident90.1Very high60 Ų6043.8 Ų43.837%0.36823%0.227SC..EExtended strand (participates in β ladder)trans-76.4143.6174.8660000111.1Y419 L420 N421 L425Y419-T423 CarbonylContact C-O 3.52Å; Y419-T423 WeakPolarHBondContact CA-O 3.12Å; Y419-T423 WeakPolarHBondContact CB-O 3.44Å; L420-T423 PolarHBondContact N-O 2.74Å; L420-T423 PolarHBondContact O-N 2.97Å; L420-T423 PolarHBondContact O-OG1 3.01Å; L420-T423 VanDerWaalsContact O-OG1 3.07Å; N421-T423 PolarHBondContact O-N 3.41Å; T423-L425 PolarHBondContact O-N 3.43Å
424S83.9Confident90.1Very high76 Ų7644.4 Ų44.453%0.53123%0.228SC..EExtended strand (participates in β ladder)trans-76.9109.3174.655.80000109.7
425L85.8Confident90.1Very high34 Ų3441.3 Ų41.318%0.17822%0.216CC..EExtended strand (participates in β ladder)trans-89.3-46-170.2-176.569.6000113F283 V285 V418 L420 T423 L437F283-L425 HydrophobicContact CB-CD1 4.02Å; F283-L425 HydrophobicContact CD2-CD1 3.85Å; F283-L425 HydrophobicContact CG-CD1 4.38Å; V285-L425 HydrophobicContact CG2-CD1 4.12Å; V285-L425 HydrophobicContact CG2-CD2 3.87Å; V285-L425 HydrophobicContact CG2-CG 3.76Å; V418-L425 WeakPolarHBondContact O-CB 3.4Å; V418-L425 PolarHBondContact O-N 2.97Å; L420-L425 HydrophobicContact CB-CB 4.2Å; L420-L425 HydrophobicContact CB-CD2 3.92Å; L420-L425 HydrophobicContact CD2-CD2 3.96Å; T423-L425 PolarHBondContact O-N 3.43Å; L425-L437 HydrophobicContact CD2-CD2 3.56Å
426H87Confident90Very high56 Ų5640.5 Ų40.526%0.25921%0.214SC..EExtended strand (participates in β ladder)trans-156.4159.4-175.6-173.545.8000112.6V285 E287 R417 V418 L435V285-H426 HydrophobicContact CG1-CB 3.9Å; V285-H426 HydrophobicContact CG2-CB 4.38Å; E287-H426 IonicContact OE1-CD2 2.74Å; E287-H426 IonicContact OE1-CE1 2.78Å; E287-H426 IonicContact OE1-NE2 3.2Å; E287-H426 PolarHBondContact OE1-NE2 2.92Å; R417-H426 CarbonylContact C-O 3.32Å; R417-H426 WeakPolarHBondContact CA-O 3.08Å; V418-H426 PolarHBondContact N-O 2.92Å; V418-H426 PolarHBondContact O-N 2.76Å; H426-L435 HydrophobicContact CB-CD2 4.43Å
427V91.6Very high89.9Confident44 Ų4440.5 Ų40.527%0.26721%0.214SC..EExtended strand (participates in β ladder)trans-123.3103.4172-177.40000109.7Y415 R417Y415-V427 HydrophobicContact CD1-CG1 4.25Å; R417-V427 HydrophobicContact CB-CG2 4.2Å; R417-V427 HydrophobicContact CG-CG2 4.04Å
428C92.4Very high89.6Confident0 Ų041 Ų410%022%0.219CC..EExtended strand (participates in β ladder)trans-75.8142.7179.4-45.60000110.9Y415 H416 V432Y415-C428 WeakPolarHBondContact CA-O 3.23Å; H416-C428 HydrophobicContact CB-CB 4.19Å; H416-C428 PolarHBondContact N-O 3.28Å; H416-C428 WeakPolarHBondContact O-CB 3.08Å; H416-C428 PolarHBondContact O-N 2.9Å; H416-C428 PolarHBondContact O-SG 2.86Å; C428-V432 HydrophobicContact CB-CB 3.9Å; C428-V432 HydrophobicContact CB-CG1 3.83Å
429K92Very high89.1Confident136 Ų13643.1 Ų43.159%0.59123%0.23SC*.PPolyproline II helixtrans-71.4160.7176.4-67175.2-177.4173.90112.3V432K429-V432 HydrophobicContact CB-CG2 4.33Å; K429-V432 VanDerWaalsContact O-CB 3.26Å; K429-V432 WeakPolarHBondContact O-CB 3.23Å; K429-V432 WeakPolarHBondContact O-CG2 3.28Å; K429-V432 PolarHBondContact O-N 3.46Å; K429-V432 VanDerWaalsContact O-N 3.12Å
430P91.9Very high88.7Confident54 Ų5442 Ų4235%0.35123%0.226SC..THydrogen-bonded Turntrans-51.1142.3172-3038000113.1S412 N413 Y415 V432S412-P430 CarbonylContact O-C 3.57Å; S412-P430 WeakPolarHBondContact O-CA 3.33Å; S412-P430 WeakPolarHBondContact O-CB 3.36Å; N413-P430 VanDerWaalsContact O-CG 3.28Å; N413-P430 WeakPolarHBondContact O-CG 3.32Å; Y415-P430 HydrophobicContact CD2-CG 3.78Å; Y415-P430 HydrophobicContact CE1-CG 4.46Å; Y415-P430 HydrophobicContact CE2-CG 3.59Å; Y415-P430 HydrophobicContact CG-CG 4.26Å; P430-V432 PolarHBondContact O-N 3.34Å
431G89.7Confident88Confident21 Ų2144.1 Ų44.122%0.21624%0.24CC..THydrogen-bonded Turntrans75.7-3.8-17400000115.8Q377 S412Q377-G431 WeakPolarHBondContact O-CA 3.35Å; S412-G431 PolarHBondContact O-N 2.94Å
432V93Very high87.2Confident31 Ų3142.9 Ų42.919%0.18824%0.236CC..  trans-84.8129171-1780000109.9C428 K429 P430C428-V432 HydrophobicContact CB-CB 3.9Å; C428-V432 HydrophobicContact CB-CG1 3.83Å; K429-V432 HydrophobicContact CB-CG2 4.33Å; K429-V432 VanDerWaalsContact O-CB 3.26Å; K429-V432 WeakPolarHBondContact O-CB 3.23Å; K429-V432 WeakPolarHBondContact O-CG2 3.28Å; K429-V432 PolarHBondContact O-N 3.46Å; K429-V432 VanDerWaalsContact O-N 3.12Å; P430-V432 PolarHBondContact O-N 3.34Å
433Y94.7Very high87.2Confident33 Ų3342 Ų4213%0.12923%0.234CC..  trans-138.19.1-172.873.4-78.3000113.7A376 Q377 S406 W407A376-Y433 HydrophobicContact CB-CD1 4.14Å; A376-Y433 HydrophobicContact CB-CD2 3.32Å; A376-Y433 HydrophobicContact CB-CE2 3.84Å; A376-Y433 HydrophobicContact CB-CG 3.49Å; A376-Y433 VanDerWaalsContact CB-CG 3.49Å; Q377-Y433 HydrophobicContact CG-CD1 3.71Å; Q377-Y433 HydrophobicContact CG-CE1 3.34Å; S406-Y433 VanDerWaalsContact CA-O 3.31Å; S406-Y433 WeakPolarHBondContact CA-O 3.18Å; W407-Y433 PolarHBondContact N-O 2.69Å
434K93.9Very high87.2Confident60 Ų6041.4 Ų41.426%0.26123%0.23SC..EExtended strand (participates in β ladder)trans-141.9149.2178.5-61.1-177.4-176.3158.50109.5E288 L405E288-K434 VanDerWaalsContact OE2-CD 3.24Å; E288-K434 WeakPolarHBondContact OE2-CD 3.34Å; E288-K434 IonicContact OE2-NZ 3.81Å; L405-K434 WeakPolarHBondContact O-CA 3.47Å
435L92.6Very high87.4Confident0 Ų042.3 Ų42.30%023%0.228CC..EExtended strand (participates in β ladder)trans-146.9138.4174.9-158.663.2000109.7V285 E287 K404 L405 W407 V418 H426 L437V285-L435 HydrophobicContact CG1-CD1 3.49Å; V285-L435 VanDerWaalsContact CG1-CD1 3.49Å; V285-L435 HydrophobicContact CG1-CD2 3.74Å; V285-L435 HydrophobicContact CG1-CG 3.72Å; E287-L435 HydrophobicContact CG-CD1 3.8Å; K404-L435 CarbonylContact C-O 3.45Å; L405-L435 HydrophobicContact CB-CB 4.32Å; L405-L435 PolarHBondContact N-O 2.84Å; L405-L435 PolarHBondContact O-N 3.43Å; W407-L435 HydrophobicContact CH2-CB 4.27Å; W407-L435 HydrophobicContact CZ3-CB 4.19Å; V418-L435 HydrophobicContact CB-CD2 4.22Å; V418-L435 HydrophobicContact CG1-CD2 4.3Å; V418-L435 HydrophobicContact CG2-CD2 3.9Å; H426-L435 HydrophobicContact CB-CD2 4.43Å; L435-L437 HydrophobicContact CD2-CD2 4.08Å; L435-L437 HydrophobicContact CG-CD2 4.39Å
436H91.1Very high87.7Confident47 Ų4740.9 Ų40.922%0.21822%0.221CC..EExtended strand (participates in β ladder)trans-103120.5169.3-165.555.7000109.6I286I286-H436 HydrophobicContact CB-CB 4.35Å; I286-H436 PolarHBondContact N-O 3.31Å; I286-H436 PolarHBondContact O-N 3.5Å
437L91.1Very high87.9Confident1 Ų141.2 Ų41.21%0.00522%0.222CC..EExtended strand (participates in β ladder)trans-92.5129.5171.4-50.6-175.3000108.1S402 A403 L405 L420 L425 L435 L440 V448 F488S402-L437 CarbonylContact C-O 3.51Å; S402-L437 WeakPolarHBondContact CA-O 3.47Å; S402-L437 WeakPolarHBondContact CB-O 3.32Å; A403-L437 PolarHBondContact N-O 2.58Å; A403-L437 PolarHBondContact O-N 2.95Å; L405-L437 HydrophobicContact CD1-CD1 3.91Å; L405-L437 HydrophobicContact CD1-CD2 4.17Å; L405-L437 HydrophobicContact CD1-CG 4.08Å; L405-L437 HydrophobicContact CG-CD1 4.2Å; L405-L437 HydrophobicContact CG-CG 4.28Å; L420-L437 HydrophobicContact CD1-CD1 4.19Å; L425-L437 HydrophobicContact CD2-CD2 3.56Å; L435-L437 HydrophobicContact CD2-CD2 4.08Å; L435-L437 HydrophobicContact CG-CD2 4.39Å; L437-L440 HydrophobicContact CB-CD1 4.12Å; L437-L440 HydrophobicContact CB-CD2 4.32Å; L437-L440 HydrophobicContact CB-CG 4.33Å; L437-L440 HydrophobicContact CD1-CD1 4.43Å; L437-L440 HydrophobicContact CD1-CD2 4.47Å; L437-V448 HydrophobicContact CD1-CG2 4.44Å; L437-F488 HydrophobicContact CD1-CZ 4.3Å
438T86.5Confident88Confident25 Ų2539.1 Ų39.115%0.15321%0.21CC..  trans-118179.5167.762.70000111.1Q284 K401 L440Q284-T438 WeakPolarHBondContact CB-OG1 3.44Å; Q284-T438 PolarHBondContact O-N 2.86Å; Q284-T438 PolarHBondContact O-OG1 3.07Å; Q284-T438 VanDerWaalsContact O-OG1 3.07Å; K401-T438 CarbonylContact O-C 3.55Å; K401-T438 WeakPolarHBondContact O-CA 3.28Å; T438-L440 PolarHBondContact O-N 2.94Å
439D83.3Confident88.1Confident44 Ų4439.5 Ų39.524%0.23521%0.213CC..SBendtrans60.213.6173.8-45.7-60.5000115.3L282 F283 Q284 K401L282-D439 WeakPolarHBondContact O-CB 3.46Å; F283-D439 HydrophobicContact CD1-CB 4.4Å; F283-D439 WeakPolarHBondContact CE1-O 3.4Å; Q284-D439 PolarHBondContact N-OD2 2.94Å; Q284-D439 PolarHBondContact NE2-OD2 2.89Å; Q284-D439 VanDerWaalsContact NE2-OD2 3.11Å; K401-D439 PolarHBondContact O-N 3.01Å
440L83.2Confident88.2Confident1 Ų133 Ų331%0.00519%0.185CC..PPolyproline II helixtrans-59.3144.5174.5-58.6178.6000110.9F283 K401 A403 L420 L437 T438 F488 T490F283-L440 HydrophobicContact CD1-CD2 4.05Å; F283-L440 HydrophobicContact CE1-CD2 4.12Å; K401-L440 VanDerWaalsContact CA-O 3.23Å; K401-L440 WeakPolarHBondContact CA-O 3.03Å; K401-L440 WeakPolarHBondContact CB-O 3.17Å; K401-L440 WeakPolarHBondContact CG-O 3.09Å; K401-L440 PolarHBondContact O-N 2.85Å; A403-L440 HydrophobicContact CB-CD1 4.1Å; L420-L440 HydrophobicContact CD1-CD2 4.49Å; L420-L440 HydrophobicContact CD2-CD2 3.61Å; L437-L440 HydrophobicContact CB-CD1 4.12Å; L437-L440 HydrophobicContact CB-CD2 4.32Å; L437-L440 HydrophobicContact CB-CG 4.33Å; L437-L440 HydrophobicContact CD1-CD1 4.43Å; L437-L440 HydrophobicContact CD1-CD2 4.47Å; T438-L440 PolarHBondContact O-N 2.94Å; L440-F488 HydrophobicContact CD1-CE2 3.87Å; L440-F488 HydrophobicContact CD1-CZ 3.8Å; L440-T490 HydrophobicContact CB-CG2 3.74Å; L440-T490 HydrophobicContact CD1-CG2 3.82Å; L440-T490 HydrophobicContact CG-CG2 4.46Å
441P77.2Confident88.2Confident48 Ų4832 Ų3231%0.31218%0.175SC..PPolyproline II helixtrans-64.2145.2171.6-20.734.6000111.4T444 T490P441-T444 HydrophobicContact CB-CG2 4.36Å; P441-T444 WeakPolarHBondContact O-CB 3.27Å; P441-T490 WeakPolarHBondContact O-CB 3.49Å; P441-T490 PolarHBondContact O-OG1 2.93Å
442P73.2Confident88.4Confident42 Ų4231 Ų3127%0.27317%0.165SC..THydrogen-bonded Turntrans-75.8159.7178.632.9-37.3000113.1T400 T444 I493T400-P442 WeakPolarHBondContact O-CA 3.28Å; T400-P442 WeakPolarHBondContact O-CB 3.16Å; P442-T444 PolarHBondContact O-N 3.16Å; P442-T444 PolarHBondContact O-OG1 3.06Å; P442-I493 HydrophobicContact CB-CD1 4.28Å; P442-I493 HydrophobicContact CB-CG1 3.71Å; P442-I493 HydrophobicContact CG-CD1 3.89Å; P442-I493 HydrophobicContact CG-CG1 3.89Å
443D76.3Confident88.2Confident70 Ų7030.3 Ų30.337%0.37416%0.16SC..THydrogen-bonded Turntrans47.823.2-175.9-157.636.8000115R489 T490 L491 P492D443-R489 PolarHBondContact O-NE 2.79Å; D443-R489 VanDerWaalsContact O-NE 3.08Å; D443-R489 PolarHBondContact O-NH2 2.98Å; D443-R489 IonicContact OD1-CZ 3.22Å; D443-R489 IonicContact OD1-NE 3.97Å; D443-R489 PolarHBondContact OD1-NE 2.87Å; D443-R489 IonicContact OD1-NH2 2.92Å; D443-R489 PolarHBondContact OD1-NH2 3.4Å; D443-R489 IonicContact OD2-CZ 2.73Å; D443-R489 IonicContact OD2-NE 3.77Å; D443-R489 IonicContact OD2-NH2 2.68Å; D443-R489 PolarHBondContact OD2-NH2 2.92Å; D443-T490 WeakPolarHBondContact CA-O 3.35Å; D443-T490 PolarHBondContact N-OG1 2.81Å; D443-L491 PolarHBondContact N-O 2.94Å; D443-P492 HydrophobicContact CB-CB 3.94Å
444T81.2Confident87.7Confident47 Ų4732.8 Ų32.829%0.28818%0.18SC..  trans-106.7134.8-167.3-66.70000110.1P441 P442 H446 R489 T490P441-T444 HydrophobicContact CB-CG2 4.36Å; P441-T444 WeakPolarHBondContact O-CB 3.27Å; P442-T444 PolarHBondContact O-N 3.16Å; P442-T444 PolarHBondContact O-OG1 3.06Å; T444-H446 PolarHBondContact O-CD2 2.95Å; T444-R489 CarbonylContact O-C 3.59Å; T444-R489 VanDerWaalsContact O-CA 3.28Å; T444-R489 WeakPolarHBondContact O-CA 3.33Å; T444-T490 PolarHBondContact N-OG1 2.88Å; T444-T490 PolarHBondContact O-N 2.99Å; T444-T490 PolarHBondContact O-OG1 3.01Å
445L88.9Confident86.7Confident94 Ų9431.9 Ų31.949%0.49218%0.181SC..EExtended strand (participates in β ladder)trans-77126174.6-173.667.7000109.2E487 R489L445-E487 HydrophobicContact CD1-CB 4.44Å; L445-R489 HydrophobicContact CD1-CB 4.35Å
446H90.1Very high85.3Confident4 Ų434.1 Ų34.12%0.01920%0.196CC..EExtended strand (participates in β ladder)trans-116.1124.3176-71.4-74.5000110.6L420 N421 T444 E487 F488L420-H446 HydrophobicContact CD1-CB 3.9Å; N421-H446 PolarHBondContact ND2-ND1 3.5Å; N421-H446 VanDerWaalsContact OD1-CA 3.23Å; N421-H446 WeakPolarHBondContact OD1-CA 3.31Å; T444-H446 PolarHBondContact O-CD2 2.95Å; H446-E487 WeakPolarHBondContact O-CA 3.09Å; H446-F488 HydrophobicContact CB-CD1 4.29Å; H446-F488 HydrophobicContact CB-CE1 3.81Å; H446-F488 HydrophobicContact CB-CE2 4.04Å; H446-F488 HydrophobicContact CB-CZ 3.66Å; H446-F488 PolarHBondContact N-O 2.71Å; H446-F488 PolarHBondContact O-N 2.88Å
447Q92.6Very high83.6Confident63 Ų6337.7 Ų37.729%0.29422%0.215SC..EExtended strand (participates in β ladder)trans-97.2126.6167-170.3-177.889.300108.5N421 E487N421-Q447 PolarHBondContact N-O 2.84Å; N421-Q447 PolarHBondContact OD1-N 2.85Å; N421-Q447 PolarHBondContact OD1-O 2.82Å; Q447-E487 HydrophobicContact CB-CG 3.99Å; Q447-E487 HydrophobicContact CG-CG 3.82Å; Q447-E487 PolarHBondContact NE2-OE1 2.8Å
448V94.1Very high81.8Confident0 Ų039.9 Ų39.90%023%0.231CC..EExtended strand (participates in β ladder)trans-117.2135.4177.6165.10000109.9L405 V418 Y419 L420 L437 V450 F485 I486 F488L405-V448 HydrophobicContact CD1-CG1 3.78Å; L405-V448 HydrophobicContact CD1-CG2 4.4Å; L405-V448 HydrophobicContact CD2-CB 4.49Å; L405-V448 HydrophobicContact CD2-CG1 4.11Å; L405-V448 HydrophobicContact CD2-CG2 4.38Å; V418-V448 HydrophobicContact CG1-CG1 4.09Å; Y419-V448 WeakPolarHBondContact O-CA 3.49Å; L420-V448 HydrophobicContact CD1-CG2 3.58Å; L437-V448 HydrophobicContact CD1-CG2 4.44Å; V448-V450 HydrophobicContact CG1-CG2 4.17Å; V448-F485 CarbonylContact O-C 3.59Å; V448-F485 WeakPolarHBondContact O-CA 3.45Å; V448-I486 HydrophobicContact CB-CG2 3.99Å; V448-I486 HydrophobicContact CG1-CG2 4.33Å; V448-I486 PolarHBondContact N-O 3.23Å; V448-I486 PolarHBondContact O-N 2.82Å; V448-F488 HydrophobicContact CG2-CE1 3.88Å
449C92.9Very high80.1Confident9 Ų942.3 Ų42.36%0.06124%0.242CC..EExtended strand (participates in β ladder)trans-118.2134.5169.4173.70000109.3V418 Y419 A484 F485V418-C449 CarbonylContact C-O 3.41Å; V418-C449 WeakPolarHBondContact CA-O 3.35Å; Y419-C449 HydrophobicContact CD2-CB 4.5Å; Y419-C449 PolarHBondContact N-O 2.8Å; Y419-C449 PolarHBondContact O-N 2.79Å; C449-A484 CarbonylContact C-O 3.42Å; C449-A484 WeakPolarHBondContact CA-O 3.31Å; C449-F485 HydrophobicContact CB-CD1 3.71Å; C449-F485 HydrophobicContact CB-CE1 3.66Å; C449-F485 HydrophobicContact CB-CZ 4.43Å; C449-F485 VanDerWaalsContact SG-CE1 3.59Å
450V94.3Very high78.1Confident0 Ų047.1 Ų47.10%026%0.263CS..EExtended strand (participates in β ladder)trans-116.8120.1170.7-173.60000108.4P390 L393 W407 H416 R417 V418 V448 A483 A484P390-V450 HydrophobicContact CB-CG1 4.4Å; P390-V450 HydrophobicContact CG-CB 4.38Å; P390-V450 HydrophobicContact CG-CG1 4.01Å; L393-V450 HydrophobicContact CD1-CG2 3.66Å; L393-V450 HydrophobicContact CD2-CB 4.34Å; L393-V450 HydrophobicContact CD2-CG2 3.9Å; L393-V450 HydrophobicContact CG-CG2 4.46Å; W407-V450 HydrophobicContact CD2-CG1 4.15Å; W407-V450 HydrophobicContact CE3-CG1 4.46Å; W407-V450 HydrophobicContact CE3-CG2 4.27Å; W407-V450 HydrophobicContact CZ2-CG1 4.31Å; W407-V450 HydrophobicContact CZ3-CG2 4.49Å; H416-V450 HydrophobicContact CB-CG1 4.09Å; R417-V450 WeakPolarHBondContact O-CA 3.25Å; V418-V450 HydrophobicContact CG1-CG2 4.44Å; V418-V450 HydrophobicContact CG2-CG1 4.35Å; V418-V450 HydrophobicContact CG2-CG2 4.18Å; V448-V450 HydrophobicContact CG1-CG2 4.17Å; V450-A483 WeakPolarHBondContact O-CA 3.19Å; V450-A484 PolarHBondContact N-O 2.91Å; V450-A484 PolarHBondContact O-N 2.85Å
451Q93.5Very high76.1Confident32 Ų3256.6 Ų56.615%0.1531%0.307CS..EExtended strand (participates in β ladder)trans-115.8131.4-176.7-174.6-177.59.900111.1H416 R417 Y419 L453 L482 A483H416-Q451 CarbonylContact C-O 3.6Å; H416-Q451 WeakPolarHBondContact CA-O 3.14Å; R417-Q451 PolarHBondContact N-O 2.74Å; R417-Q451 PolarHBondContact O-N 2.71Å; Y419-Q451 HydrophobicContact CE2-CB 4.45Å; Q451-L453 HydrophobicContact CG-CD2 4.37Å; Q451-L482 WeakPolarHBondContact CA-O 3.17Å; Q451-L482 HydrophobicContact CG-CB 4.46Å; Q451-A483 HydrophobicContact CB-CB 4.44Å; Q451-A483 HydrophobicContact CG-CB 4.5Å
452A92.8Very high74.4Confident1 Ų156.5 Ų56.51%0.00831%0.308CS..EExtended strand (participates in β ladder)trans-80.3130.6173.800000111.3A388 Y414 Y415 L482A388-A452 HydrophobicContact CB-CB 4.21Å; A388-A452 WeakPolarHBondContact O-CB 3.46Å; Y414-A452 HydrophobicContact CD1-CB 3.88Å; Y414-A452 HydrophobicContact CG-CB 4.3Å; Y415-A452 CarbonylContact O-C 3.6Å; Y415-A452 WeakPolarHBondContact O-CA 3.41Å; A452-L482 PolarHBondContact N-O 2.74Å
453L89.3Confident72.7Confident16 Ų1658 Ų588%0.08432%0.324CS..EExtended strand (participates in β ladder)trans-124.3133.6178.7-61.5178.3000110.7Y414 Y415 R417 Q451Y414-L453 CarbonylContact C-O 3.58Å; Y414-L453 WeakPolarHBondContact CA-O 3.23Å; Y414-L453 WeakPolarHBondContact CB-O 3.11Å; Y414-L453 VanDerWaalsContact CD1-C 3.44Å; Y414-L453 WeakPolarHBondContact CD1-O 3.48Å; Y415-L453 PolarHBondContact N-O 3.25Å; Y415-L453 PolarHBondContact O-N 2.93Å; R417-L453 HydrophobicContact CB-CD1 3.73Å; R417-L453 HydrophobicContact CB-CG 4.38Å; Q451-L453 HydrophobicContact CG-CD2 4.37Å
454P82.8Confident71Confident84 Ų8463.9 Ų63.955%0.54535%0.349SS..SBendtrans-77.5-23.1-17630.8-35.4000113.8Y414Y414-P454 HydrophobicContact CD1-CB 4.31Å; Y414-P454 HydrophobicContact CE1-CB 3.86Å
455S74.6Confident69Low41 Ų4168.7 Ų68.729%0.28737%0.368SS..  trans-143.5149.3-177.1172.80000109.8I457 S458S455-I457 VanDerWaalsContact C-N 3.31Å; S455-I457 PolarHBondContact OG-N 2.96Å; S455-I457 VanDerWaalsContact OG-N 3.15Å; S455-S458 PolarHBondContact O-OG 3.02Å
456P62.2Low66.5Low48 Ų4866.5 Ų66.531%0.31236%0.361SS..SBendtrans-72.1-26.1170.730.8-33.2000111.8Y415 S458 I459Y415-P456 HydrophobicContact CD1-CB 4.34Å; Y415-P456 HydrophobicContact CE1-CB 4Å; Y415-P456 HydrophobicContact CE1-CG 4.21Å; Y415-P456 HydrophobicContact CE2-CG 4.29Å; P456-S458 PolarHBondContact O-N 2.8Å; P456-I459 WeakPolarHBondContact O-CB 3.35Å; P456-I459 VanDerWaalsContact O-CD1 3.23Å; P456-I459 WeakPolarHBondContact O-CD1 3.31Å; P456-I459 WeakPolarHBondContact O-CG1 3.37Å; P456-I459 PolarHBondContact O-N 2.93Å; P456-I459 VanDerWaalsContact O-N 3.1Å
457I55.7Low64.1Low122 Ų12267.1 Ų67.163%0.62637%0.365SS*.G310 helixtrans-70.1-18.6-175.8-60.7175.9000111.8S455 I459 Q460S455-I457 VanDerWaalsContact C-N 3.31Å; S455-I457 PolarHBondContact OG-N 2.96Å; S455-I457 VanDerWaalsContact OG-N 3.15Å; I457-I459 PolarHBondContact O-N 2.81Å; I457-Q460 PolarHBondContact O-N 3.26Å
458S54.1Low61.7Low47 Ų4765.8 Ų65.833%0.32936%0.362SS..G310 helixtrans-57.3-3.1166.8-50.10000114.6S455 P456 S462S455-S458 PolarHBondContact O-OG 3.02Å; P456-S458 PolarHBondContact O-N 2.8Å; S458-S462 PolarHBondContact O-OG 3Å
459I49.3Very low59.6Low75 Ų7572.1 Ų72.139%0.38539%0.386SS..G310 helixtrans-59.2-45.7169.8-76.6166.1000112.3P456 I457 S462 A463P456-I459 WeakPolarHBondContact O-CB 3.35Å; P456-I459 VanDerWaalsContact O-CD1 3.23Å; P456-I459 WeakPolarHBondContact O-CD1 3.31Å; P456-I459 WeakPolarHBondContact O-CG1 3.37Å; P456-I459 PolarHBondContact O-N 2.93Å; P456-I459 VanDerWaalsContact O-N 3.1Å; I457-I459 PolarHBondContact O-N 2.81Å; I459-S462 PolarHBondContact O-N 2.84Å; I459-S462 PolarHBondContact O-OG 3.03Å; I459-A463 PolarHBondContact O-N 2.87Å
460Q42.3Very low57.3Low146 Ų14675.6 Ų75.668%0.68240%0.403SS*.G310 helixtrans-70.2-42.9-165.8-76.4-179.5-46.700114.2I457 S462I457-Q460 PolarHBondContact O-N 3.26Å; Q460-S462 PolarHBondContact O-N 3.07Å
461E41.4Very low54.4Low199 Ų19979.7 Ų79.793%0.9343%0.425SS*.G310 helixtrans-800.5178.3-62.8-174.2128.900114.2
462S40.2Very low51.6Low46 Ų4680.8 Ų80.832%0.32243%0.434SS..G310 helixtrans-1207.8179.466.50000114.7R417 S458 I459 Q460R417-S462 PolarHBondContact NH1-OG 3.47Å; R417-S462 VanDerWaalsContact NH1-OG 3.07Å; R417-S462 PolarHBondContact NH2-OG 2.83Å; R417-S462 VanDerWaalsContact NH2-OG 3.14Å; S458-S462 PolarHBondContact O-OG 3Å; I459-S462 PolarHBondContact O-N 2.84Å; I459-S462 PolarHBondContact O-OG 3.03Å; Q460-S462 PolarHBondContact O-N 3.07Å
463A38.4Very low48.6Very low74 Ų7485.1 Ų85.161%0.61247%0.469SS*.SBendtrans-85.7-11.6-171.100000115.8I459I459-A463 PolarHBondContact O-N 2.87Å
464Q40.6Very low45.5Very low193 Ų19390.3 Ų90.390%0.90251%0.506SS*.SBendtrans-117.34-174.7-81.8-171-21.900115.6
465Q38.8Very low42.9Very low148 Ų14891 Ų9169%0.69251%0.513SS*.SBendtrans-135.2105.6177.7-66.1-169.219.400112.5N471Q465-N471 PolarHBondContact OE1-ND2 3.29Å
466S35.6Very low40.6Very low49 Ų4992.1 Ų92.134%0.34353%0.531SS..  trans39148.514756.90000121.4
467P41.4Very low39.2Very low16 Ų1695.7 Ų95.710%0.10455%0.551CS.*  trans-55.2145169.529.4-41.8000111.3E422 W469 I470E422-P467 HydrophobicContact CB-CB 4.13Å; E422-P467 HydrophobicContact CB-CG 3.78Å; E422-P467 HydrophobicContact CG-CB 4.21Å; E422-P467 HydrophobicContact CG-CG 3.83Å; P467-W469 PolarHBondContact O-N 3.16Å; P467-I470 HydrophobicContact CG-CD1 3.71Å; P467-I470 HydrophobicContact CG-CG1 3.98Å; P467-I470 PolarHBondContact O-N 3.49Å
468P42.1Very low38.3Very low35 Ų3598.2 Ų98.223%0.22755%0.554CS.*THydrogen-bonded Turntrans-64.9-4.9-167.623.4-34.3000115.9T472P468-T472 PolarHBondContact O-OG1 3.16Å; P468-T472 VanDerWaalsContact O-OG1 3.12Å
469W50Low37.8Very low134 Ų134100.3 Ų100.351%0.50857%0.565SS.*THydrogen-bonded Turntrans-84.5-26.7173.871.8-96.9000113.5E422 P467E422-W469 HydrophobicContact CG-CZ2 4.41Å; E422-W469 WeakPolarHBondContact OE2-CZ2 3.22Å; P467-W469 PolarHBondContact O-N 3.16Å
470I43.7Very low37.8Very low81 Ų81103 Ų10342%0.41558%0.576SS.*THydrogen-bonded Turntrans-68.8-37.2-179.4-72.1-179000111.8P467 T472P467-I470 HydrophobicContact CG-CD1 3.71Å; P467-I470 HydrophobicContact CG-CG1 3.98Å; P467-I470 PolarHBondContact O-N 3.49Å; I470-T472 PolarHBondContact O-N 3.43Å
471N33.5Very low38.9Very low87 Ų87103 Ų10347%0.46557%0.574SS.*THydrogen-bonded Turntrans-87.14.9-177.7-78.9-3.7000114.9Q465 A473Q465-N471 PolarHBondContact OE1-ND2 3.29Å; N471-A473 PolarHBondContact O-N 3.22Å
472T34.6Very low40.9Very low55 Ų5596.4 Ų96.434%0.33755%0.545SS..THydrogen-bonded Turntrans-99.345.3178.8-410000113.8P468 I470P468-T472 PolarHBondContact O-OG1 3.16Å; P468-T472 VanDerWaalsContact O-OG1 3.12Å; I470-T472 PolarHBondContact O-N 3.43Å
473A29.4Very low43.2Very low91 Ų9194.7 Ų94.775%0.75253%0.534SS*.THydrogen-bonded Turntrans-101.6-27.4159.600000112.6N471N471-A473 PolarHBondContact O-N 3.22Å
474C25.5Very low45.7Very low125 Ų12591.9 Ų91.985%0.84551%0.51SS*.SBendtrans-137.130.9-166.7-67.80000114.9
475S27.4Very low48.2Very low99 Ų9987.8 Ų87.869%0.69249%0.49SS*.  trans-151.4134.9160.5-166.80000111.6
476G27.2Very low50.8Low65 Ų6582.7 Ų82.767%0.6747%0.466SS*.  trans-97.1134.1-17500000112.7
477V32.2Very low53.6Low122 Ų12285.9 Ų85.974%0.73948%0.476SS*.SBendtrans65.798.4166-163.70000115.4
478Y36Very low55.9Low175 Ų17585.7 Ų85.769%0.68647%0.474SS*.SBend170.1-38.3121.6-96-66.4000112.5Q480 K481Y478-Q480 PolarHBondContact O-N 2.85Å; Y478-K481 PolarHBondContact O-N 3Å
479T44.5Very low58.1Low92 Ų9290.2 Ų90.256%0.56449%0.486SS*.G310 helixtrans-58.1-39.5-16951.60000115.1K481 L482T479-K481 PolarHBondContact O-N 2.78Å; T479-L482 PolarHBondContact O-N 3.27Å
480Q49.1Very low59.7Low132 Ų13283.9 Ų83.962%0.61746%0.462SS*.G310 helixtrans-57-22.5-177.5-69.7-174.9-19.600114.1Y478 L482Y478-Q480 PolarHBondContact O-N 2.85Å; Q480-L482 VanDerWaalsContact C-N 3.28Å; Q480-L482 PolarHBondContact O-N 3.13Å
481K65.3Low61Low145 Ų14584.4 Ų84.463%0.6347%0.465SS*.G310 helixtrans-75.8-4.8-178.7-71.9-170173.8-174.30115T387 T389 Y478 T479T387-K481 PolarHBondContact OG1-O 2.79Å; T389-K481 WeakPolarHBondContact CB-O 3.39Å; T389-K481 PolarHBondContact OG1-O 2.87Å; Y478-K481 PolarHBondContact O-N 3Å; T479-K481 PolarHBondContact O-N 2.78Å
482L83.1Confident62.2Low60 Ų6083.5 Ų83.531%0.31446%0.464SS..G310 helixtrans-104.2-1.6-178.8-63.1-180000114.5A388 Q451 A452 T479 Q480A388-L482 HydrophobicContact CB-CD2 3.9Å; Q451-L482 WeakPolarHBondContact CA-O 3.17Å; Q451-L482 HydrophobicContact CG-CB 4.46Å; A452-L482 PolarHBondContact N-O 2.74Å; T479-L482 PolarHBondContact O-N 3.27Å; Q480-L482 VanDerWaalsContact C-N 3.28Å; Q480-L482 PolarHBondContact O-N 3.13Å
483A88.2Confident63.3Low11 Ų1184.8 Ų84.89%0.09147%0.468CS..EExtended strand (participates in β ladder)trans-120.3145.4-17400000112.6T389 V450 Q451 F485T389-A483 VanDerWaalsContact CG2-O 3.29Å; T389-A483 WeakPolarHBondContact CG2-O 3.41Å; V450-A483 WeakPolarHBondContact O-CA 3.19Å; Q451-A483 HydrophobicContact CB-CB 4.44Å; Q451-A483 HydrophobicContact CG-CB 4.5Å; A483-F485 HydrophobicContact CB-CE2 3.77Å; A483-F485 HydrophobicContact CB-CZ 4Å
484A91.1Very high64Low14 Ų1482.5 Ų82.512%0.11645%0.454CS..EExtended strand (participates in β ladder)trans-126.9142.8171.200000110.4T389 P390 L393 C449 V450T389-A484 HydrophobicContact CG2-CB 4.46Å; P390-A484 HydrophobicContact CB-CB 4.16Å; P390-A484 WeakPolarHBondContact O-CB 3.38Å; L393-A484 HydrophobicContact CB-CB 4.35Å; L393-A484 HydrophobicContact CD2-CB 4.15Å; L393-A484 WeakPolarHBondContact CD2-O 3.42Å; C449-A484 CarbonylContact C-O 3.42Å; C449-A484 WeakPolarHBondContact CA-O 3.31Å; V450-A484 PolarHBondContact N-O 2.91Å; V450-A484 PolarHBondContact O-N 2.85Å
485F92.7Very high65.4Low108 Ų10880 Ų8047%0.47443%0.431SS..EExtended strand (participates in β ladder)trans-122.1147.9-170-60.4-98.5000111.3V448 C449 A483V448-F485 CarbonylContact O-C 3.59Å; V448-F485 WeakPolarHBondContact O-CA 3.45Å; C449-F485 HydrophobicContact CB-CD1 3.71Å; C449-F485 HydrophobicContact CB-CE1 3.66Å; C449-F485 HydrophobicContact CB-CZ 4.43Å; C449-F485 VanDerWaalsContact SG-CE1 3.59Å; A483-F485 HydrophobicContact CB-CE2 3.77Å; A483-F485 HydrophobicContact CB-CZ 4Å
486I94.2Very high67Low40 Ų4076.1 Ų76.121%0.20540%0.404CS..EExtended strand (participates in β ladder)trans-148149.3168.7-171.6162.6000110.6L393 A395 V448L393-I486 HydrophobicContact CD1-CG2 4.5Å; L393-I486 HydrophobicContact CD2-CB 4.18Å; L393-I486 HydrophobicContact CD2-CG2 3.81Å; L393-I486 HydrophobicContact CG-CB 4.22Å; L393-I486 HydrophobicContact CG-CG2 3.84Å; A395-I486 HydrophobicContact CB-CD1 4.36Å; V448-I486 HydrophobicContact CB-CG2 3.99Å; V448-I486 HydrophobicContact CG1-CG2 4.33Å; V448-I486 PolarHBondContact N-O 3.23Å; V448-I486 PolarHBondContact O-N 2.82Å
487E93.6Very high68.8Low116 Ų11678.6 Ų78.654%0.54240%0.402SS..EExtended strand (participates in β ladder)trans-115.7137.8169.6-71171.4-172.700110L445 H446 Q447L445-E487 HydrophobicContact CD1-CB 4.44Å; H446-E487 WeakPolarHBondContact O-CA 3.09Å; Q447-E487 HydrophobicContact CB-CG 3.99Å; Q447-E487 HydrophobicContact CG-CG 3.82Å; Q447-E487 PolarHBondContact NE2-OE1 2.8Å
488F90.7Very high70.9Confident13 Ų1375 Ų756%0.05738%0.381CS..EExtended strand (participates in β ladder)trans-143.9150.7171.371.6-88.4000109.9A395 I398 A403 L405 L437 L440 H446 V448 T490A395-F488 HydrophobicContact CB-CB 3.97Å; A395-F488 HydrophobicContact CB-CD1 3.74Å; A395-F488 HydrophobicContact CB-CE1 4.43Å; A395-F488 HydrophobicContact CB-CG 3.87Å; I398-F488 HydrophobicContact CD1-CB 3.89Å; I398-F488 HydrophobicContact CD1-CD2 4.21Å; I398-F488 HydrophobicContact CD1-CG 4.3Å; I398-F488 HydrophobicContact CG1-CD2 4.15Å; I398-F488 HydrophobicContact CG2-CD2 3.97Å; I398-F488 HydrophobicContact CG2-CE2 4.43Å; A403-F488 HydrophobicContact CB-CD2 4.1Å; A403-F488 HydrophobicContact CB-CE1 4.24Å; A403-F488 HydrophobicContact CB-CE2 3.4Å; A403-F488 HydrophobicContact CB-CZ 3.48Å; A403-F488 VanDerWaalsContact CB-CZ 3.48Å; L405-F488 HydrophobicContact CD2-CE1 4.42Å; L437-F488 HydrophobicContact CD1-CZ 4.3Å; L440-F488 HydrophobicContact CD1-CE2 3.87Å; L440-F488 HydrophobicContact CD1-CZ 3.8Å; H446-F488 HydrophobicContact CB-CD1 4.29Å; H446-F488 HydrophobicContact CB-CE1 3.81Å; H446-F488 HydrophobicContact CB-CE2 4.04Å; H446-F488 HydrophobicContact CB-CZ 3.66Å; H446-F488 PolarHBondContact N-O 2.71Å; H446-F488 PolarHBondContact O-N 2.88Å; V448-F488 HydrophobicContact CG2-CE1 3.88Å; F488-T490 HydrophobicContact CE2-CG2 4.23Å
489R87.6Confident73.1Confident129 Ų12966.9 Ų66.949%0.48735%0.35SS..EExtended strand (participates in β ladder)trans-103.7129.9172.3-165.4-176.1179.993.8-7.1108.2I398 D443 T444 L445I398-R489 WeakPolarHBondContact CG2-O 3.47Å; D443-R489 PolarHBondContact O-NE 2.79Å; D443-R489 VanDerWaalsContact O-NE 3.08Å; D443-R489 PolarHBondContact O-NH2 2.98Å; D443-R489 IonicContact OD1-CZ 3.22Å; D443-R489 IonicContact OD1-NE 3.97Å; D443-R489 PolarHBondContact OD1-NE 2.87Å; D443-R489 IonicContact OD1-NH2 2.92Å; D443-R489 PolarHBondContact OD1-NH2 3.4Å; D443-R489 IonicContact OD2-CZ 2.73Å; D443-R489 IonicContact OD2-NE 3.77Å; D443-R489 IonicContact OD2-NH2 2.68Å; D443-R489 PolarHBondContact OD2-NH2 2.92Å; T444-R489 CarbonylContact O-C 3.59Å; T444-R489 VanDerWaalsContact O-CA 3.28Å; T444-R489 WeakPolarHBondContact O-CA 3.33Å; L445-R489 HydrophobicContact CD1-CB 4.35Å
490T83.3Confident75Confident2 Ų265 Ų651%0.01234%0.341CS..PPolyproline II helixtrans-59.1153.5167.141.40000109.8L440 P441 D443 T444 F488L440-T490 HydrophobicContact CB-CG2 3.74Å; L440-T490 HydrophobicContact CD1-CG2 3.82Å; L440-T490 HydrophobicContact CG-CG2 4.46Å; P441-T490 WeakPolarHBondContact O-CB 3.49Å; P441-T490 PolarHBondContact O-OG1 2.93Å; D443-T490 WeakPolarHBondContact CA-O 3.35Å; D443-T490 PolarHBondContact N-OG1 2.81Å; T444-T490 PolarHBondContact N-OG1 2.88Å; T444-T490 PolarHBondContact O-N 2.99Å; T444-T490 PolarHBondContact O-OG1 3.01Å; F488-T490 HydrophobicContact CE2-CG2 4.23Å
491L72Confident76.7Confident91 Ų9165.1 Ų65.148%0.47634%0.341SS..PPolyproline II helixtrans-64.9146.7173.9-58.9-179.7000109.5I398 G399 T400 D443I398-L491 WeakPolarHBondContact O-CD1 3.48Å; G399-L491 PolarHBondContact O-N 3.28Å; T400-L491 WeakPolarHBondContact CA-O 3.3Å; T400-L491 HydrophobicContact CG2-CB 4.22Å; D443-L491 PolarHBondContact N-O 2.94Å
492P59.1Low77.9Confident68 Ų6859.2 Ų59.244%0.44232%0.317SS..PPolyproline II helixtrans-59.8158.6164.128-35000110.1T400 D443 G494T400-P492 WeakPolarHBondContact CG2-O 3.38Å; D443-P492 HydrophobicContact CB-CB 3.94Å; P492-G494 PolarHBondContact O-N 2.83Å
493I56.3Low78.3Confident83 Ų8362.3 Ų62.343%0.42633%0.329SS..  trans-67.288.6165.1-63.1177.5000107.1P442P442-I493 HydrophobicContact CB-CD1 4.28Å; P442-I493 HydrophobicContact CB-CG1 3.71Å; P442-I493 HydrophobicContact CG-CD1 3.89Å; P442-I493 HydrophobicContact CG-CG1 3.89Å
494G45.7Very low78.6Confident43 Ų4363 Ų6344%0.44333%0.331SS..PPolyproline II helixtrans-70.1149.3169.400000110.2P492P492-G494 PolarHBondContact O-N 2.83Å
495L53.6Low78.7Confident72 Ų7267 Ų6738%0.37735%0.348SS..PPolyproline II helixtrans-58.8148.2156.1-67148.1000108.7I624L495-I624 HydrophobicContact CD2-CD1 3.58Å; L495-I624 HydrophobicContact CD2-CG1 3.9Å; L495-I624 HydrophobicContact CD2-CG2 4.35Å
496P62.1Low78.6Confident17 Ų1763.9 Ų63.911%0.1134%0.342CS..PPolyproline II helixtrans-59.2149.3-178.624.9-35000112V541 I624 P649P496-V541 HydrophobicContact CB-CG2 3.5Å; P496-V541 VanDerWaalsContact CB-CG2 3.5Å; P496-V541 HydrophobicContact CG-CG2 3.82Å; P496-I624 HydrophobicContact CG-CG2 3.6Å; P496-P649 VanDerWaalsContact O-CD 3.31Å; P496-P649 WeakPolarHBondContact O-CD 3.49Å; P496-P649 WeakPolarHBondContact O-CG 3.43Å
497D65.1Low78.4Confident118 Ų11862.7 Ų62.763%0.63134%0.34SS*.PPolyproline II helixtrans-51.9152179.8-74-50.1000112.9V520 S622D497-V520 HydrophobicContact CB-CG1 4.38Å; D497-V520 WeakPolarHBondContact O-CG2 3.2Å; D497-S622 PolarHBondContact O-OG 2.86Å
498P75.3Confident78.1Confident47 Ų4761 Ų6131%0.30534%0.339SS..PPolyproline II helixtrans-66.1147.8175.929.3-34000110.5S500 P649 A650P498-S500 PolarHBondContact O-N 2.92Å; P498-P649 HydrophobicContact CB-CB 4.44Å; P498-P649 WeakPolarHBondContact CB-O 3.34Å; P498-P649 HydrophobicContact CG-CB 4.44Å; P498-A650 WeakPolarHBondContact CB-O 3.38Å
499P83.3Confident78.1Confident4 Ų466.7 Ų66.73%0.02637%0.366CS..PPolyproline II helixtrans-59.2136.4170.826.5-33.2000110.1V502 W517 Y544 V620P499-V502 HydrophobicContact CG-CG2 4.39Å; P499-W517 HydrophobicContact CB-CB 4.05Å; P499-W517 HydrophobicContact CB-CG 3.83Å; P499-Y544 HydrophobicContact CB-CD1 4.11Å; P499-Y544 HydrophobicContact CB-CE1 3.94Å; P499-Y544 HydrophobicContact CG-CD1 4.05Å; P499-Y544 HydrophobicContact CG-CE1 4.34Å; P499-V620 WeakPolarHBondContact CD-O 3.48Å; P499-V620 HydrophobicContact CG-CB 3.77Å; P499-V620 HydrophobicContact CG-CG1 3.76Å
500S83.9Confident78.1Confident53 Ų5366.2 Ų66.237%0.37137%0.373SS..EExtended strand (participates in β ladder)trans-96.7161.2-174.9830000111.5P498 V502 L518P498-S500 PolarHBondContact O-N 2.92Å; S500-V502 PolarHBondContact O-N 2.7Å; S500-L518 PolarHBondContact N-O 3.22Å; S500-L518 PolarHBondContact O-N 2.7Å
501H84.8Confident78.5Confident133 Ų13366.8 Ų66.862%0.61638%0.379SS*.EExtended strand (participates in β ladder)trans52.141.2177.8-57.182.5000113.5Q503 L518H501-Q503 PolarHBondContact O-N 2.78Å; H501-L518 HydrophobicContact CB-CD1 4.26Å; H501-L518 HydrophobicContact CB-CG 4.15Å
502V90.2Very high79.4Confident22 Ų2263.9 Ų63.913%0.13336%0.363CS..EExtended strand (participates in β ladder)trans-60.6133.7172-169.90000109.1P499 S500 I515 T516 W517 V620 S651 I654P499-V502 HydrophobicContact CG-CG2 4.39Å; S500-V502 PolarHBondContact O-N 2.7Å; V502-I515 HydrophobicContact CG1-CG2 4.21Å; V502-T516 CarbonylContact C-O 3.6Å; V502-T516 VanDerWaalsContact CA-O 3.22Å; V502-T516 WeakPolarHBondContact CA-O 3.4Å; V502-W517 HydrophobicContact CB-CB 4.4Å; V502-W517 HydrophobicContact CG2-CB 3.91Å; V502-V620 HydrophobicContact CG1-CG2 3.82Å; V502-V620 HydrophobicContact CG2-CB 4.44Å; V502-V620 HydrophobicContact CG2-CG2 4.43Å; V502-S651 VanDerWaalsContact CG2-CB 3.47Å; V502-I654 HydrophobicContact CB-CD1 3.84Å; V502-I654 HydrophobicContact CG1-CD1 3.68Å; V502-I654 WeakPolarHBondContact O-CD1 3.3Å
503Q92.1Very high81.1Confident124 Ų12460.7 Ų60.758%0.57934%0.342SS*.EExtended strand (participates in β ladder)trans-137.9159.4178.5-66.5179.70.700109.8H501 I515 T516H501-Q503 PolarHBondContact O-N 2.78Å; Q503-I515 WeakPolarHBondContact O-CA 3.33Å; Q503-T516 PolarHBondContact N-O 3.21Å; Q503-T516 PolarHBondContact O-N 2.96Å
504I93.4Very high82.9Confident25 Ų2558.3 Ų58.313%0.12833%0.33CS..EExtended strand (participates in β ladder)trans-139.8129.9179.4-48.4-179.7000108.9L513 L514 I515 I618 I654 L656 L660I504-L513 HydrophobicContact CG2-CB 4.44Å; I504-L513 HydrophobicContact CG2-CD2 3.93Å; I504-L514 WeakPolarHBondContact CA-O 3.34Å; I504-I515 HydrophobicContact CG1-CG1 4.28Å; I504-I515 HydrophobicContact CG1-CG2 4.33Å; I504-I515 HydrophobicContact CG2-CG1 4.14Å; I504-I618 HydrophobicContact CD1-CB 3.93Å; I504-I618 HydrophobicContact CD1-CD1 4.25Å; I504-I618 HydrophobicContact CD1-CG1 4.46Å; I504-I618 HydrophobicContact CD1-CG2 4.31Å; I504-I654 HydrophobicContact CD1-CB 3.83Å; I504-I654 HydrophobicContact CD1-CD1 4.32Å; I504-I654 HydrophobicContact CD1-CG2 3.71Å; I504-I654 HydrophobicContact CG1-CB 4.44Å; I504-I654 HydrophobicContact CG1-CD1 4.09Å; I504-I654 HydrophobicContact CG1-CG2 4.1Å; I504-L656 HydrophobicContact CD1-CD2 3.76Å; I504-L656 HydrophobicContact CG2-CD2 4.27Å; I504-L660 HydrophobicContact CB-CD2 4.21Å; I504-L660 HydrophobicContact CG2-CD2 3.93Å
505E93.1Very high85.3Confident98 Ų9856.3 Ų56.346%0.45831%0.31SS..EExtended strand (participates in β ladder)trans-139.5173.5179.164.6-172.5154.600111.7L514E505-L514 HydrophobicContact CG-CB 3.97Å; E505-L514 HydrophobicContact CG-CD2 4.13Å; E505-L514 HydrophobicContact CG-CG 4.12Å; E505-L514 PolarHBondContact N-O 2.97Å; E505-L514 PolarHBondContact O-N 3.28Å; E505-L514 WeakPolarHBondContact OE1-CD2 3.4Å
506A90.8Very high87.2Confident44 Ų4454.5 Ų54.536%0.36430%0.302SS..EExtended strand (participates in β ladder)trans-65.2134.717300000110.1L663A506-L663 HydrophobicContact CB-CB 4.44Å
507G90Very high88.7Confident15 Ų1554.2 Ų54.216%0.15530%0.298CS..  trans-72.8173.6-17900000113.5Q509 M512G507-Q509 PolarHBondContact O-N 3.48Å; G507-M512 WeakPolarHBondContact CA-O 3.3Å; G507-M512 PolarHBondContact N-O 2.66Å
508P88.8Confident89.8Confident80 Ų8053.1 Ų53.152%0.51929%0.292SS..SBendtrans-72.13-17830.8-37.1000114.6I565P508-I565 HydrophobicContact CG-CD1 4.4Å
509Q89Confident90.4Very high133 Ų13352.9 Ų52.962%0.62129%0.29SS*.SBendtrans-147.2144.2176.8-68.3-176.5-26.200109G507 G511 M512G507-Q509 PolarHBondContact O-N 3.48Å; Q509-G511 PolarHBondContact O-N 2.97Å; Q509-M512 HydrophobicContact CB-CG 4.16Å; Q509-M512 VanDerWaalsContact O-CB 3.25Å; Q509-M512 WeakPolarHBondContact O-CB 3.18Å; Q509-M512 WeakPolarHBondContact O-CG 3.24Å; Q509-M512 PolarHBondContact O-N 2.9Å; Q509-M512 VanDerWaalsContact O-N 3.17Å
510D88.9Confident90.2Very high119 Ų11953.5 Ų53.564%0.63629%0.294SS*.THydrogen-bonded Turntrans-56.5134.6174.3-64.5-4.5000111
511G90.3Very high89.5Confident13 Ų1356.9 Ų56.913%0.13432%0.315CS..THydrogen-bonded Turntrans91.36.7-172.700000114.7Q509 L568 A664Q509-G511 PolarHBondContact O-N 2.97Å; G511-L568 PolarHBondContact O-N 2.86Å; G511-A664 WeakPolarHBondContact CA-O 3.42Å; G511-A664 PolarHBondContact N-O 2.73Å
512M92.8Very high88.6Confident31 Ų3153.5 Ų53.515%0.15330%0.299CS..EExtended strand (participates in β ladder)trans-120.9144.9-179.9-60.4-76.3-133.900112.6G507 Q509 I565 L566 K567 A664G507-M512 WeakPolarHBondContact CA-O 3.3Å; G507-M512 PolarHBondContact N-O 2.66Å; Q509-M512 HydrophobicContact CB-CG 4.16Å; Q509-M512 VanDerWaalsContact O-CB 3.25Å; Q509-M512 WeakPolarHBondContact O-CB 3.18Å; Q509-M512 WeakPolarHBondContact O-CG 3.24Å; Q509-M512 PolarHBondContact O-N 2.9Å; Q509-M512 VanDerWaalsContact O-N 3.17Å; M512-I565 HydrophobicContact CB-CG2 4.14Å; M512-I565 HydrophobicContact CE-CG2 3.83Å; M512-I565 HydrophobicContact CG-CG2 4.27Å; M512-I565 HydrophobicContact SD-CG2 3.79Å; M512-L566 WeakPolarHBondContact CA-O 3.5Å; M512-K567 HydrophobicContact CE-CG 4.28Å; M512-K567 HydrophobicContact SD-CB 4.36Å; M512-K567 HydrophobicContact SD-CG 3.42Å; M512-K567 WeakPolarHBondContact SD-CG 3.34Å; M512-A664 PolarHBondContact N-O 3.14Å; M512-A664 WeakPolarHBondContact O-CB 3.39Å
513L93.3Very high86.8Confident0 Ų057 Ų570%032%0.317CS..EExtended strand (participates in β ladder)trans-105.7141.4160.4-73.1162.3000109.5I504 I565 L566 L568 I571 L656 L660 L661 A664I504-L513 HydrophobicContact CG2-CB 4.44Å; I504-L513 HydrophobicContact CG2-CD2 3.93Å; L513-I565 CarbonylContact O-C 3.57Å; L513-I565 WeakPolarHBondContact O-CA 3.19Å; L513-L566 PolarHBondContact N-O 2.73Å; L513-L566 PolarHBondContact O-N 3.24Å; L513-L568 HydrophobicContact CD1-CD2 3.65Å; L513-L568 HydrophobicContact CG-CD2 3.81Å; L513-I571 HydrophobicContact CD1-CD1 3.56Å; L513-L656 HydrophobicContact CD1-CD2 4.35Å; L513-L660 HydrophobicContact CD2-CD1 4.15Å; L513-L660 HydrophobicContact CD2-CD2 4.44Å; L513-L660 HydrophobicContact CD2-CG 3.99Å; L513-L661 HydrophobicContact CD1-CD2 4.29Å; L513-A664 HydrophobicContact CD2-CB 3.46Å; L513-A664 VanDerWaalsContact CD2-CB 3.46Å; L513-A664 HydrophobicContact CG-CB 3.84Å
514L95.3Very high84.9Confident34 Ų3458.8 Ų58.818%0.17832%0.323CS..EExtended strand (participates in β ladder)trans-102.8127.6166.8170.557.2000108I504 E505 T516 H563 I565I504-L514 WeakPolarHBondContact CA-O 3.34Å; E505-L514 HydrophobicContact CG-CB 3.97Å; E505-L514 HydrophobicContact CG-CD2 4.13Å; E505-L514 HydrophobicContact CG-CG 4.12Å; E505-L514 PolarHBondContact N-O 2.97Å; E505-L514 PolarHBondContact O-N 3.28Å; E505-L514 WeakPolarHBondContact OE1-CD2 3.4Å; L514-T516 HydrophobicContact CD1-CG2 3.9Å; L514-T516 HydrophobicContact CD2-CG2 4.4Å; L514-T516 HydrophobicContact CG-CG2 3.93Å; L514-H563 HydrophobicContact CD1-CB 4.07Å; L514-I565 HydrophobicContact CD1-CG1 4.11Å
515I94.9Very high82.4Confident1 Ų163.3 Ų63.31%0.00535%0.348CS..EExtended strand (participates in β ladder)trans-117.2124.3178.1-56.1162.5000106.2V502 Q503 I504 W517 V546 H563 A564 L566 I618 V620V502-I515 HydrophobicContact CG1-CG2 4.21Å; Q503-I515 WeakPolarHBondContact O-CA 3.33Å; I504-I515 HydrophobicContact CG1-CG1 4.28Å; I504-I515 HydrophobicContact CG1-CG2 4.33Å; I504-I515 HydrophobicContact CG2-CG1 4.14Å; I515-W517 HydrophobicContact CB-CZ3 4.49Å; I515-W517 HydrophobicContact CG2-CE3 4.12Å; I515-W517 HydrophobicContact CG2-CZ3 4.02Å; I515-V546 HydrophobicContact CD1-CG1 3.81Å; I515-H563 CarbonylContact O-C 3.59Å; I515-H563 WeakPolarHBondContact O-CA 2.98Å; I515-H563 WeakPolarHBondContact O-CB 3.3Å; I515-A564 HydrophobicContact CB-CB 4.3Å; I515-A564 PolarHBondContact N-O 2.89Å; I515-A564 PolarHBondContact O-N 3Å; I515-L566 HydrophobicContact CD1-CB 4.19Å; I515-L566 HydrophobicContact CD1-CD2 4.08Å; I515-I618 HydrophobicContact CD1-CD1 3.75Å; I515-I618 HydrophobicContact CD1-CG2 4.33Å; I515-V620 HydrophobicContact CG2-CG2 4.23Å
516T94.6Very high80.1Confident34 Ų3460.2 Ų60.221%0.20934%0.339CS..EExtended strand (participates in β ladder)trans-124.2157.2-176.955.50000110.7V502 Q503 L514 D562 H563V502-T516 CarbonylContact C-O 3.6Å; V502-T516 VanDerWaalsContact CA-O 3.22Å; V502-T516 WeakPolarHBondContact CA-O 3.4Å; Q503-T516 PolarHBondContact N-O 3.21Å; Q503-T516 PolarHBondContact O-N 2.96Å; L514-T516 HydrophobicContact CD1-CG2 3.9Å; L514-T516 HydrophobicContact CD2-CG2 4.4Å; L514-T516 HydrophobicContact CG-CG2 3.93Å; T516-D562 CarbonylContact C-O 3.54Å; T516-D562 WeakPolarHBondContact CA-O 3.45Å; T516-H563 HydrophobicContact CG2-CB 4.03Å
517W94Very high78.2Confident10 Ų1059.5 Ų59.54%0.03833%0.33CS..EExtended strand (participates in β ladder)trans-160.3159.6174.958.486.2000111.3P499 V502 I515 P519 Y544 V546 L556 R561 D562 A564 V620P499-W517 HydrophobicContact CB-CB 4.05Å; P499-W517 HydrophobicContact CB-CG 3.83Å; V502-W517 HydrophobicContact CB-CB 4.4Å; V502-W517 HydrophobicContact CG2-CB 3.91Å; I515-W517 HydrophobicContact CB-CZ3 4.49Å; I515-W517 HydrophobicContact CG2-CE3 4.12Å; I515-W517 HydrophobicContact CG2-CZ3 4.02Å; W517-P519 WeakPolarHBondContact O-CD 3.44Å; W517-Y544 HydrophobicContact CZ2-CD2 4.01Å; W517-Y544 AromaticContact CZ2-CG 4Å; W517-Y544 HydrophobicContact CZ2-CG 4Å; W517-Y544 AromaticContact NE1-CD1 3.91Å; W517-Y544 AromaticContact NE1-CD2 3.82Å; W517-Y544 AromaticContact NE1-CE1 3.94Å; W517-Y544 AromaticContact NE1-CE2 3.86Å; W517-Y544 AromaticContact NE1-CG 3.85Å; W517-Y544 AromaticContact NE1-CZ 3.92Å; W517-V546 HydrophobicContact CH2-CG2 4.35Å; W517-V546 HydrophobicContact CZ3-CG2 4.33Å; W517-L556 HydrophobicContact CH2-CD1 3.69Å; W517-L556 HydrophobicContact CZ2-CD1 4.31Å; W517-R561 HydrophobicContact CZ2-CB 4.36Å; W517-R561 PolarHBondContact NE1-O 3.13Å; W517-D562 PolarHBondContact N-O 3.03Å; W517-D562 WeakPolarHBondContact O-CA 3.31Å; W517-D562 VanDerWaalsContact O-O 3.14Å; W517-A564 HydrophobicContact CH2-CB 3.95Å; W517-A564 HydrophobicContact CZ3-CB 3.94Å; W517-V620 HydrophobicContact CD2-CG1 4.2Å; W517-V620 HydrophobicContact CE3-CG1 4.16Å; W517-V620 HydrophobicContact CE3-CG2 4.1Å; W517-V620 HydrophobicContact CH2-CG1 4.38Å; W517-V620 HydrophobicContact CZ2-CG1 4.4Å; W517-V620 HydrophobicContact CZ3-CG1 4.25Å; W517-V620 HydrophobicContact CZ3-CG2 4.31Å
518L88Confident76Confident95 Ų9565.3 Ų65.350%0.49735%0.353SS..EExtended strand (participates in β ladder)trans-78.8123.9166.2-66.9-177.7000109.7S500 H501S500-L518 PolarHBondContact N-O 3.22Å; S500-L518 PolarHBondContact O-N 2.7Å; H501-L518 HydrophobicContact CB-CD1 4.26Å; H501-L518 HydrophobicContact CB-CG 4.15Å
519P86.5Confident73.8Confident42 Ų4264.3 Ų64.327%0.27335%0.351SS..PPolyproline II helixtrans-55.9149.2174.1-24.433.7000112.2W517 P521 Y544 D562W517-P519 WeakPolarHBondContact O-CD 3.44Å; P519-P521 WeakPolarHBondContact O-CD 3.33Å; P519-Y544 WeakPolarHBondContact CA-OH 3.34Å; P519-D562 HydrophobicContact CG-CB 3.84Å
520V79.7Confident71.8Confident18 Ų1859.2 Ų59.211%0.10933%0.329CS..PPolyproline II helixtrans-62.9125.4177.2178.50000109.4D497 Q522 V541 Y544 S622D497-V520 HydrophobicContact CB-CG1 4.38Å; D497-V520 WeakPolarHBondContact O-CG2 3.2Å; V520-Q522 PolarHBondContact O-N 2.76Å; V520-V541 HydrophobicContact CB-CG2 4.08Å; V520-V541 HydrophobicContact CG1-CG2 4.27Å; V520-V541 HydrophobicContact CG2-CG2 4.34Å; V520-Y544 HydrophobicContact CG2-CE1 4.15Å; V520-Y544 PolarHBondContact N-OH 2.7Å; V520-Y544 VanDerWaalsContact N-OH 3.07Å; V520-S622 WeakPolarHBondContact CG2-OG 3.4Å
521P68.8Low69.7Low124 Ų12458.7 Ų58.781%0.80533%0.33SS*.PPolyproline II helixtrans-60121.4-179.3-2635.4000112.4P519P519-P521 WeakPolarHBondContact O-CD 3.33Å
522Q65.9Low67.4Low61 Ų6161.4 Ų61.429%0.28535%0.352SS..  trans-113.5122.7172.7-65.1-174.16.200109.8V520 K524 V527V520-Q522 PolarHBondContact O-N 2.76Å; Q522-K524 PolarHBondContact O-N 3.4Å; Q522-K524 VanDerWaalsContact O-N 3.12Å; Q522-V527 HydrophobicContact CB-CG2 4.28Å
523D53.7Low64.8Low97 Ų9762.9 Ų62.952%0.51937%0.369SS..  trans-71.1105.2166.7179.8-5.1000108.4N525 A526 V527D523-N525 PolarHBondContact O-N 2.94Å; D523-N525 WeakPolarHBondContact OD1-CB 3.4Å; D523-N525 PolarHBondContact OD1-N 3.2Å; D523-N525 PolarHBondContact OD1-ND2 3.36Å; D523-A526 HydrophobicContact CB-CB 3.84Å; D523-A526 WeakPolarHBondContact O-CB 3.39Å; D523-A526 PolarHBondContact O-N 2.92Å; D523-A526 PolarHBondContact OD1-N 2.88Å; D523-V527 WeakPolarHBondContact O-CG2 3.36Å; D523-V527 PolarHBondContact O-N 2.83Å
524K52.1Low62.1Low161 Ų16166.5 Ų66.570%0.741%0.406SS*.Hα-helixtrans-56.7-37.8-178.1-62.1-178.2179.7-179.10112.1Q522 A526 V527 E528Q522-K524 PolarHBondContact O-N 3.4Å; Q522-K524 VanDerWaalsContact O-N 3.12Å; K524-A526 VanDerWaalsContact C-N 3.34Å; K524-V527 PolarHBondContact O-N 3.12Å; K524-E528 WeakPolarHBondContact O-CB 3.36Å; K524-E528 WeakPolarHBondContact O-CG 3.48Å; K524-E528 PolarHBondContact O-N 2.96Å
525N40.8Very low59.4Low120 Ų12066.2 Ų66.264%0.64241%0.409SS*.Hα-helixtrans-68.3-38.4179.2-47.1-74.1000110.8D523 A529D523-N525 PolarHBondContact O-N 2.94Å; D523-N525 WeakPolarHBondContact OD1-CB 3.4Å; D523-N525 PolarHBondContact OD1-N 3.2Å; D523-N525 PolarHBondContact OD1-ND2 3.36Å; N525-A529 WeakPolarHBondContact O-CB 3.4Å; N525-A529 PolarHBondContact O-N 3.46Å
526A43.9Very low56.7Low33 Ų3367.7 Ų67.727%0.27342%0.419SS..Hα-helixtrans-68.1-42.2174.900000111.6D523 K524 A529 V530D523-A526 HydrophobicContact CB-CB 3.84Å; D523-A526 WeakPolarHBondContact O-CB 3.39Å; D523-A526 PolarHBondContact O-N 2.92Å; D523-A526 PolarHBondContact OD1-N 2.88Å; K524-A526 VanDerWaalsContact C-N 3.34Å; A526-A529 PolarHBondContact O-N 2.8Å; A526-V530 VanDerWaalsContact O-CB 3.23Å; A526-V530 WeakPolarHBondContact O-CB 3.46Å; A526-V530 WeakPolarHBondContact O-CG2 3.33Å; A526-V530 PolarHBondContact O-N 2.89Å
527V50.4Low54.3Low29 Ų2967.7 Ų67.718%0.17642%0.421CS..Hα-helixtrans-65.7-41.7178.4174.30000111.8Q522 D523 K524 T531 P540Q522-V527 HydrophobicContact CB-CG2 4.28Å; D523-V527 WeakPolarHBondContact O-CG2 3.36Å; D523-V527 PolarHBondContact O-N 2.83Å; K524-V527 PolarHBondContact O-N 3.12Å; V527-T531 WeakPolarHBondContact O-CB 3.32Å; V527-T531 PolarHBondContact O-N 3.44Å; V527-T531 PolarHBondContact O-OG1 3.46Å; V527-P540 HydrophobicContact CG1-CB 4.43Å
528E45.3Very low52.1Low136 Ų13671.2 Ų71.264%0.63644%0.443SS*.Hα-helixtrans-64.9-45.8174.4-74.1174.1-162.400111.4K524 V530 T531 A532K524-E528 WeakPolarHBondContact O-CB 3.36Å; K524-E528 WeakPolarHBondContact O-CG 3.48Å; K524-E528 PolarHBondContact O-N 2.96Å; E528-V530 PolarHBondContact O-N 3.03Å; E528-T531 PolarHBondContact O-N 3.11Å; E528-A532 WeakPolarHBondContact O-CB 3.39Å; E528-A532 PolarHBondContact O-N 3.34Å
529A40.9Very low50.4Low59 Ų5967.6 Ų67.649%0.48842%0.424SS..Hα-helixtrans-61.6-42.4175.700000112.7N525 A526 A532 A533N525-A529 WeakPolarHBondContact O-CB 3.4Å; N525-A529 PolarHBondContact O-N 3.46Å; A526-A529 PolarHBondContact O-N 2.8Å; A529-A532 CarbonylContact O-C 3.56Å; A529-A532 PolarHBondContact O-N 3.08Å; A529-A533 WeakPolarHBondContact O-CB 3.33Å; A529-A533 PolarHBondContact O-N 2.92Å
530V47.1Very low49.4Very low26 Ų2667.8 Ų67.816%0.15843%0.426CS..Hα-helixtrans-63.6-43.3175.81620000111.5A526 E528 A532 A533 G534 A535 S537A526-V530 VanDerWaalsContact O-CB 3.23Å; A526-V530 WeakPolarHBondContact O-CB 3.46Å; A526-V530 WeakPolarHBondContact O-CG2 3.33Å; A526-V530 PolarHBondContact O-N 2.89Å; E528-V530 PolarHBondContact O-N 3.03Å; V530-A532 VanDerWaalsContact C-N 3.29Å; V530-A532 PolarHBondContact O-N 3.47Å; V530-A533 CarbonylContact O-C 3.59Å; V530-A533 PolarHBondContact O-N 2.86Å; V530-A533 VanDerWaalsContact O-N 3.12Å; V530-G534 PolarHBondContact O-N 2.98Å; V530-A535 WeakPolarHBondContact CG1-O 3.13Å; V530-S537 VanDerWaalsContact CG2-OG 3.23Å; V530-S537 WeakPolarHBondContact CG2-OG 3.36Å
531T44.8Very low49.1Very low108 Ų10867.2 Ų67.266%0.66342%0.422SS*.Hα-helixtrans-66.1-35.4177.9-56.40000111V527 E528 A533V527-T531 WeakPolarHBondContact O-CB 3.32Å; V527-T531 PolarHBondContact O-N 3.44Å; V527-T531 PolarHBondContact O-OG1 3.46Å; E528-T531 PolarHBondContact O-N 3.11Å; T531-A533 VanDerWaalsContact C-N 3.31Å; T531-A533 PolarHBondContact O-N 3.38Å
532A43Very low49.5Very low71 Ų7166.1 Ų66.159%0.58741%0.406SS*.THydrogen-bonded Turntrans-79.3-4.6173.500000114.9E528 A529 V530E528-A532 WeakPolarHBondContact O-CB 3.39Å; E528-A532 PolarHBondContact O-N 3.34Å; A529-A532 CarbonylContact O-C 3.56Å; A529-A532 PolarHBondContact O-N 3.08Å; V530-A532 VanDerWaalsContact C-N 3.29Å; V530-A532 PolarHBondContact O-N 3.47Å
533A38.7Very low50.4Low62 Ų6263.2 Ų63.251%0.51239%0.392SS..THydrogen-bonded Turntrans-122.8-6.4-178.200000114.3A529 V530 T531 A535A529-A533 WeakPolarHBondContact O-CB 3.33Å; A529-A533 PolarHBondContact O-N 2.92Å; V530-A533 CarbonylContact O-C 3.59Å; V530-A533 PolarHBondContact O-N 2.86Å; V530-A533 VanDerWaalsContact O-N 3.12Å; T531-A533 VanDerWaalsContact C-N 3.31Å; T531-A533 PolarHBondContact O-N 3.38Å; A533-A535 PolarHBondContact O-N 3.21Å
534G36.2Very low52.2Low75 Ų7558.6 Ų58.677%0.77337%0.368SS*.  trans68.8-3.1-178.800000115.6V530V530-G534 PolarHBondContact O-N 2.98Å
535A37Very low54.1Low29 Ų2951.2 Ų51.224%0.2434%0.336CS..  trans-103.292.8-169.300000112.6V530 A533 S537V530-A535 WeakPolarHBondContact CG1-O 3.13Å; A533-A535 PolarHBondContact O-N 3.21Å; A535-S537 PolarHBondContact O-N 3.44Å
536S39.3Very low56.5Low31 Ų3145.5 Ų45.522%0.21731%0.306CS..  trans-49.9105.2176.647.20000114.3K401K401-S536 VanDerWaalsContact CD-O 3.28Å; K401-S536 WeakPolarHBondContact CD-O 3.34Å; K401-S536 WeakPolarHBondContact CE-O 3.23Å; K401-S536 PolarHBondContact NZ-O 3.04Å; K401-S536 PolarHBondContact NZ-OG 3.48Å; K401-S536 VanDerWaalsContact NZ-OG 3.08Å
537S43.5Very low58.7Low35 Ų3544 Ų4425%0.24529%0.294CS..SBendtrans-94.3-34.7170.367.90000111.8T400 V530 A535T400-S537 WeakPolarHBondContact CG2-O 3.29Å; T400-S537 WeakPolarHBondContact OG1-CA 3.28Å; T400-S537 PolarHBondContact OG1-O 3.31Å; V530-S537 VanDerWaalsContact CG2-OG 3.23Å; V530-S537 WeakPolarHBondContact CG2-OG 3.36Å; A535-S537 PolarHBondContact O-N 3.44Å
538T48.7Very low60.7Low84 Ų8442.7 Ų42.752%0.51529%0.285SS..SBendtrans-130144.815651.10000107.3P540T538-P540 WeakPolarHBondContact O-CD 3Å
539L52.9Low62.7Low19 Ų1938.2 Ų38.210%0.09927%0.266CS..  trans-71.5118.5164.3-63.7-177.9000107.2V541 I624 L628L539-V541 PolarHBondContact O-N 2.67Å; L539-I624 HydrophobicContact CB-CB 4.31Å; L539-I624 HydrophobicContact CB-CG2 3.76Å; L539-I624 HydrophobicContact CD1-CB 4.1Å; L539-I624 HydrophobicContact CD1-CD1 3.75Å; L539-I624 HydrophobicContact CD1-CG2 4Å; L539-L628 HydrophobicContact CD1-CD1 3.99Å; L539-L628 HydrophobicContact CD2-CD1 3.41Å; L539-L628 VanDerWaalsContact CD2-CD1 3.41Å; L539-L628 HydrophobicContact CG-CD1 4.37Å
540P65.4Low64.6Low46 Ų4637.9 Ų37.930%0.29927%0.268SS..  trans-63.2125.5-177.926.1-33.1000108.4V527 T538 Q542V527-P540 HydrophobicContact CG1-CB 4.43Å; T538-P540 WeakPolarHBondContact O-CD 3Å; P540-Q542 PolarHBondContact O-N 2.93Å
541V72.6Confident66.5Low5 Ų541.3 Ų41.33%0.0328%0.282CS..  trans-56111.5177.5-178.80000107.7P496 V520 L539 G543 Y544 A559 T623P496-V541 HydrophobicContact CB-CG2 3.5Å; P496-V541 VanDerWaalsContact CB-CG2 3.5Å; P496-V541 HydrophobicContact CG-CG2 3.82Å; V520-V541 HydrophobicContact CB-CG2 4.08Å; V520-V541 HydrophobicContact CG1-CG2 4.27Å; V520-V541 HydrophobicContact CG2-CG2 4.34Å; L539-V541 PolarHBondContact O-N 2.67Å; V541-G543 VanDerWaalsContact C-N 3.27Å; V541-G543 WeakPolarHBondContact CG1-O 3.34Å; V541-Y544 HydrophobicContact CG1-CE1 4Å; V541-Y544 HydrophobicContact CG1-CE2 4.29Å; V541-A559 VanDerWaalsContact O-CA 3.28Å; V541-A559 WeakPolarHBondContact O-CA 3.32Å; V541-A559 WeakPolarHBondContact O-CB 3.48Å; V541-T623 CarbonylContact C-O 3.2Å; V541-T623 WeakPolarHBondContact CA-O 3.08Å
542Q76.6Confident68.5Low101 Ų10138.4 Ų38.447%0.47227%0.269SS..  trans-78.2-19.2-179.5-74-156.6-2500112P540 G558 T623 P625P540-Q542 PolarHBondContact O-N 2.93Å; Q542-G558 PolarHBondContact O-N 3.34Å; Q542-T623 PolarHBondContact N-O 2.99Å; Q542-P625 HydrophobicContact CG-CG 3.92Å
543G86.1Confident70.7Confident0 Ų036.8 Ų36.80%025%0.25CS..EExtended strand (participates in β ladder)trans170.7-161.6-175.800000111.6V541 L556 T623V541-G543 VanDerWaalsContact C-N 3.27Å; V541-G543 WeakPolarHBondContact CG1-O 3.34Å; G543-L556 CarbonylContact C-O 3.47Å; G543-L556 WeakPolarHBondContact CA-O 3.47Å; G543-T623 WeakPolarHBondContact CA-OG1 3.19Å; G543-T623 PolarHBondContact N-OG1 3.23Å; G543-T623 PolarHBondContact O-N 3.23Å; G543-T623 PolarHBondContact O-OG1 3.21Å
544Y90.5Very high73Confident0 Ų036.5 Ų36.50%024%0.239CC..EExtended strand (participates in β ladder)trans-137.5141.4179.9-55.5-92000111P499 W517 P519 V520 V541 L556 A559 R561 V620 H621P499-Y544 HydrophobicContact CB-CD1 4.11Å; P499-Y544 HydrophobicContact CB-CE1 3.94Å; P499-Y544 HydrophobicContact CG-CD1 4.05Å; P499-Y544 HydrophobicContact CG-CE1 4.34Å; W517-Y544 HydrophobicContact CZ2-CD2 4.01Å; W517-Y544 AromaticContact CZ2-CG 4Å; W517-Y544 HydrophobicContact CZ2-CG 4Å; W517-Y544 AromaticContact NE1-CD1 3.91Å; W517-Y544 AromaticContact NE1-CD2 3.82Å; W517-Y544 AromaticContact NE1-CE1 3.94Å; W517-Y544 AromaticContact NE1-CE2 3.86Å; W517-Y544 AromaticContact NE1-CG 3.85Å; W517-Y544 AromaticContact NE1-CZ 3.92Å; P519-Y544 WeakPolarHBondContact CA-OH 3.34Å; V520-Y544 HydrophobicContact CG2-CE1 4.15Å; V520-Y544 PolarHBondContact N-OH 2.7Å; V520-Y544 VanDerWaalsContact N-OH 3.07Å; V541-Y544 HydrophobicContact CG1-CE1 4Å; V541-Y544 HydrophobicContact CG1-CE2 4.29Å; Y544-L556 PolarHBondContact N-O 3.33Å; Y544-L556 PolarHBondContact O-N 3.07Å; Y544-A559 WeakPolarHBondContact CE2-O 3.48Å; Y544-A559 PolarHBondContact OH-O 3.4Å; Y544-R561 HydrophobicContact CD2-CB 3.76Å; Y544-R561 HydrophobicContact CE2-CB 3.94Å; Y544-R561 WeakPolarHBondContact CE2-O 3.27Å; Y544-V620 HydrophobicContact CD1-CG1 4.47Å; Y544-H621 CarbonylContact C-O 3.51Å; Y544-H621 WeakPolarHBondContact CA-O 3.24Å; Y544-H621 WeakPolarHBondContact CB-O 3.39Å
545T91.6Very high75.6Confident6 Ų638.5 Ų38.54%0.03723%0.228CC..EExtended strand (participates in β ladder)trans-99.7130.2166.6-44.30000109.3A552 M554 V620 H621 T623 E647T545-A552 HydrophobicContact CG2-CB 3.6Å; T545-M554 CarbonylContact C-O 3.49Å; T545-M554 WeakPolarHBondContact CA-O 3.07Å; T545-M554 WeakPolarHBondContact CG2-O 3.43Å; T545-V620 CarbonylContact O-C 3.17Å; T545-V620 WeakPolarHBondContact O-CA 3.33Å; T545-H621 PolarHBondContact N-O 2.57Å; T545-H621 PolarHBondContact O-N 2.81Å; T545-T623 VanDerWaalsContact OG1-CG2 3.23Å; T545-T623 WeakPolarHBondContact OG1-CG2 3.31Å; T545-E647 WeakPolarHBondContact CB-OE1 3.41Å; T545-E647 VanDerWaalsContact CG2-OE1 3.25Å; T545-E647 WeakPolarHBondContact CG2-OE1 3.42Å; T545-E647 PolarHBondContact OG1-OE1 3.16Å
546V92.3Very high78Confident1 Ų137.9 Ų37.91%0.00622%0.221CC..EExtended strand (participates in β ladder)trans-92.9126.9164.8-174.70000108.1I515 W517 I553 M554 L556 A564 I618 V620I515-V546 HydrophobicContact CD1-CG1 3.81Å; W517-V546 HydrophobicContact CH2-CG2 4.35Å; W517-V546 HydrophobicContact CZ3-CG2 4.33Å; V546-I553 HydrophobicContact CG1-CD1 4.21Å; V546-I553 HydrophobicContact CG1-CG1 4.29Å; V546-I553 WeakPolarHBondContact O-CG1 3.45Å; V546-I553 PolarHBondContact O-N 2.91Å; V546-M554 HydrophobicContact CB-CB 4.3Å; V546-M554 PolarHBondContact N-O 2.96Å; V546-M554 PolarHBondContact O-N 2.85Å; V546-L556 HydrophobicContact CG2-CD1 4.28Å; V546-A564 HydrophobicContact CG2-CB 3.87Å; V546-I618 HydrophobicContact CG1-CG2 3.77Å; V546-V620 HydrophobicContact CG2-CG1 4.42Å; V546-V620 HydrophobicContact CG2-CG2 4.34Å
547C90.5Very high80.3Confident2 Ų243.5 Ų43.51%0.01424%0.241CC..EExtended strand (participates in β ladder)trans-119.4138.9-178.3-62.30000110.4Q551 I618 T619C547-Q551 CarbonylContact C-O 3.58Å; C547-Q551 WeakPolarHBondContact CA-O 3.15Å; C547-I618 VanDerWaalsContact O-CA 3.28Å; C547-I618 WeakPolarHBondContact O-CA 3.47Å; C547-T619 PolarHBondContact N-O 2.96Å; C547-T619 PolarHBondContact O-N 3.32Å
548L91Very high82.1Confident0 Ų043.2 Ų43.20%024%0.244CC..EExtended strand (participates in β ladder)trans-110.1127.4171.6179.868.4000108.1G550 Q551 I553 I571 H574 L616 I618 L656L548-G550 PolarHBondContact O-N 3.04Å; L548-Q551 PolarHBondContact N-O 2.85Å; L548-Q551 PolarHBondContact O-N 2.82Å; L548-I553 HydrophobicContact CB-CD1 3.86Å; L548-I553 HydrophobicContact CB-CG1 4.22Å; L548-I553 HydrophobicContact CB-CG2 3.92Å; L548-I571 HydrophobicContact CD2-CB 4.45Å; L548-I571 HydrophobicContact CD2-CG1 4.23Å; L548-I571 HydrophobicContact CD2-CG2 4.15Å; L548-H574 HydrophobicContact CD2-CB 4.18Å; L548-L616 HydrophobicContact CD1-CB 4.47Å; L548-I618 HydrophobicContact CD1-CD1 4.43Å; L548-I618 HydrophobicContact CD1-CG1 3.77Å; L548-L656 HydrophobicContact CD1-CD1 3.97Å
549N88.2Confident83.6Confident42 Ų4240.6 Ų40.623%0.22523%0.231CC..THydrogen-bonded Turntrans48.831.4-176.1-70.227.2000114.2E615 L616 Y617N549-E615 PolarHBondContact ND2-O 2.82Å; N549-L616 VanDerWaalsContact OD1-CA 3.28Å; N549-L616 WeakPolarHBondContact OD1-CA 3.44Å; N549-Y617 HydrophobicContact CB-CE1 4.23Å; N549-Y617 PolarHBondContact N-O 2.92Å; N549-Y617 PolarHBondContact O-OH 2.84Å; N549-Y617 PolarHBondContact OD1-N 3.33Å; N549-Y617 PolarHBondContact OD1-O 2.98Å
550G80.6Confident85.1Confident52 Ų5244.4 Ų44.454%0.53626%0.259SS..THydrogen-bonded Turntrans82.48-178.200000115.9L548L548-G550 PolarHBondContact O-N 3.04Å
551Q86.3Confident86.1Confident99 Ų9947.2 Ų47.246%0.46326%0.264SS..EExtended strand (participates in β ladder)trans-109.6133.8170.9-69.3-167.8-1.100111.3C547 L548 I553 H574C547-Q551 CarbonylContact C-O 3.58Å; C547-Q551 WeakPolarHBondContact CA-O 3.15Å; L548-Q551 PolarHBondContact N-O 2.85Å; L548-Q551 PolarHBondContact O-N 2.82Å; Q551-I553 PolarHBondContact O-N 3.44Å; Q551-H574 PolarHBondContact OE1-CE1 3.32Å
552A86.7Confident87Confident47 Ų4750.6 Ų50.639%0.38828%0.282SS..EExtended strand (participates in β ladder)trans-60.4127.417700000111.9T545T545-A552 HydrophobicContact CG2-CB 3.6Å
553I89.1Confident87.8Confident36 Ų3649.5 Ų49.519%0.18528%0.277CS..EExtended strand (participates in β ladder)trans-119.1-20.3176.853159.6000113.3V546 L548 Q551 L566V546-I553 HydrophobicContact CG1-CD1 4.21Å; V546-I553 HydrophobicContact CG1-CG1 4.29Å; V546-I553 WeakPolarHBondContact O-CG1 3.45Å; V546-I553 PolarHBondContact O-N 2.91Å; L548-I553 HydrophobicContact CB-CD1 3.86Å; L548-I553 HydrophobicContact CB-CG1 4.22Å; L548-I553 HydrophobicContact CB-CG2 3.92Å; Q551-I553 PolarHBondContact O-N 3.44Å; I553-L566 HydrophobicContact CD1-CD1 3.85Å; I553-L566 HydrophobicContact CD1-CD2 3.44Å; I553-L566 VanDerWaalsContact CD1-CD2 3.44Å; I553-L566 HydrophobicContact CD1-CG 4.3Å
554M88.9Confident88.2Confident57 Ų5749.6 Ų49.628%0.28128%0.278SS..EExtended strand (participates in β ladder)trans-154.9131.5176.6-172.7174.4-66.200111.2T545 V546 L556 A564 I565T545-M554 CarbonylContact C-O 3.49Å; T545-M554 WeakPolarHBondContact CA-O 3.07Å; T545-M554 WeakPolarHBondContact CG2-O 3.43Å; V546-M554 HydrophobicContact CB-CB 4.3Å; V546-M554 PolarHBondContact N-O 2.96Å; V546-M554 PolarHBondContact O-N 2.85Å; M554-L556 HydrophobicContact CG-CD1 4.5Å; M554-L556 HydrophobicContact CG-CD2 4.15Å; M554-L556 HydrophobicContact CG-CG 4.06Å; M554-L556 HydrophobicContact SD-CD1 4.24Å; M554-L556 HydrophobicContact SD-CD2 3.95Å; M554-L556 HydrophobicContact SD-CG 4.22Å; M554-A564 HydrophobicContact SD-CB 4.13Å; M554-I565 WeakPolarHBondContact CE-O 3.29Å
555E89.2Confident88.4Confident116 Ų11652.9 Ų52.954%0.54229%0.294SS..EExtended strand (participates in β ladder)trans-108.6132.1172.7-166.2-153.6144.100109.5K557E555-K557 WeakPolarHBondContact OE1-CE 3.35Å; E555-K557 IonicContact OE1-NZ 3.38Å
556L88.7Confident88.5Confident16 Ų1652.7 Ų52.78%0.08429%0.293CS..EExtended strand (participates in β ladder)trans-127106.4-171.6-69.4168.6000111.6W517 G543 Y544 V546 M554 R561 A564W517-L556 HydrophobicContact CH2-CD1 3.69Å; W517-L556 HydrophobicContact CZ2-CD1 4.31Å; G543-L556 CarbonylContact C-O 3.47Å; G543-L556 WeakPolarHBondContact CA-O 3.47Å; Y544-L556 PolarHBondContact N-O 3.33Å; Y544-L556 PolarHBondContact O-N 3.07Å; V546-L556 HydrophobicContact CG2-CD1 4.28Å; M554-L556 HydrophobicContact CG-CD1 4.5Å; M554-L556 HydrophobicContact CG-CD2 4.15Å; M554-L556 HydrophobicContact CG-CG 4.06Å; M554-L556 HydrophobicContact SD-CD1 4.24Å; M554-L556 HydrophobicContact SD-CD2 3.95Å; M554-L556 HydrophobicContact SD-CG 4.22Å; L556-R561 HydrophobicContact CB-CG 4.39Å; L556-A564 HydrophobicContact CD1-CB 3.56Å
557K86.8Confident88.5Confident149 Ų14958.2 Ų58.265%0.64832%0.317SS*.EExtended strand (participates in β ladder)trans-78.3136.7-178.5-59.4-178.1-179.5-1790111.3E555 R561E555-K557 WeakPolarHBondContact OE1-CE 3.35Å; E555-K557 IonicContact OE1-NZ 3.38Å; K557-R561 WeakPolarHBondContact O-CG 3.13Å; K557-R561 PolarHBondContact O-NE 2.72Å
558G81.3Confident88.6Confident29 Ų2958.1 Ų58.130%0.29932%0.317SS..  trans120.7119.2-179.100000113.1Q542 S560 R561Q542-G558 PolarHBondContact O-N 3.34Å; G558-S560 PolarHBondContact O-N 2.65Å; G558-S560 VanDerWaalsContact O-N 3.16Å; G558-R561 WeakPolarHBondContact O-CB 3.45Å; G558-R561 WeakPolarHBondContact O-CG 3.29Å; G558-R561 PolarHBondContact O-N 3Å
559A80.8Confident88.6Confident30 Ų3060.6 Ų60.625%0.24833%0.334CS..THydrogen-bonded Turntrans-51.6-36.8177.200000114.2V541 Y544V541-A559 VanDerWaalsContact O-CA 3.28Å; V541-A559 WeakPolarHBondContact O-CA 3.32Å; V541-A559 WeakPolarHBondContact O-CB 3.48Å; Y544-A559 WeakPolarHBondContact CE2-O 3.48Å; Y544-A559 PolarHBondContact OH-O 3.4Å
560S83.6Confident88.7Confident99 Ų9961.2 Ų61.269%0.69234%0.339SS*.THydrogen-bonded Turntrans-92.213.1-17764.30000114G558 D562G558-S560 PolarHBondContact O-N 2.65Å; G558-S560 VanDerWaalsContact O-N 3.16Å; S560-D562 PolarHBondContact O-N 2.91Å
561R86.9Confident89.1Confident104 Ų10458.7 Ų58.739%0.39231%0.313SS..  trans-64.7128.1170-74.1-81.4-171.6166.2-1.6109.3W517 Y544 L556 K557 G558W517-R561 HydrophobicContact CZ2-CB 4.36Å; W517-R561 PolarHBondContact NE1-O 3.13Å; Y544-R561 HydrophobicContact CD2-CB 3.76Å; Y544-R561 HydrophobicContact CE2-CB 3.94Å; Y544-R561 WeakPolarHBondContact CE2-O 3.27Å; L556-R561 HydrophobicContact CB-CG 4.39Å; K557-R561 WeakPolarHBondContact O-CG 3.13Å; K557-R561 PolarHBondContact O-NE 2.72Å; G558-R561 WeakPolarHBondContact O-CB 3.45Å; G558-R561 WeakPolarHBondContact O-CG 3.29Å; G558-R561 PolarHBondContact O-N 3Å
562D92.1Very high89.3Confident77 Ų7756.4 Ų56.441%0.41230%0.302SS..  trans-120.1-5.7-177.155.1-6.3000113T516 W517 P519 S560T516-D562 CarbonylContact C-O 3.54Å; T516-D562 WeakPolarHBondContact CA-O 3.45Å; W517-D562 PolarHBondContact N-O 3.03Å; W517-D562 WeakPolarHBondContact O-CA 3.31Å; W517-D562 VanDerWaalsContact O-O 3.14Å; P519-D562 HydrophobicContact CG-CB 3.84Å; S560-D562 PolarHBondContact O-N 2.91Å
563H93.8Very high89.3Confident77 Ų7757.5 Ų57.536%0.35630%0.301SS..EExtended strand (participates in β ladder)trans-153.4160-179.868.5-80.9000115.3L514 I515 T516L514-H563 HydrophobicContact CD1-CB 4.07Å; I515-H563 CarbonylContact O-C 3.59Å; I515-H563 WeakPolarHBondContact O-CA 2.98Å; I515-H563 WeakPolarHBondContact O-CB 3.3Å; T516-H563 HydrophobicContact CG2-CB 4.03Å
564A94Very high89.1Confident3 Ų356.8 Ų56.83%0.02530%0.297CS..EExtended strand (participates in β ladder)trans-132.9150.6170.200000110.4I515 W517 V546 M554 L556I515-A564 HydrophobicContact CB-CB 4.3Å; I515-A564 PolarHBondContact N-O 2.89Å; I515-A564 PolarHBondContact O-N 3Å; W517-A564 HydrophobicContact CH2-CB 3.95Å; W517-A564 HydrophobicContact CZ3-CB 3.94Å; V546-A564 HydrophobicContact CG2-CB 3.87Å; M554-A564 HydrophobicContact SD-CB 4.13Å; L556-A564 HydrophobicContact CD1-CB 3.56Å
565I94.1Very high88.9Confident68 Ų6854.1 Ų54.135%0.34928%0.284SS..EExtended strand (participates in β ladder)trans-121.4120.1171.3-56.6176.7000108.5P508 M512 L513 L514 M554P508-I565 HydrophobicContact CG-CD1 4.4Å; M512-I565 HydrophobicContact CB-CG2 4.14Å; M512-I565 HydrophobicContact CE-CG2 3.83Å; M512-I565 HydrophobicContact CG-CG2 4.27Å; M512-I565 HydrophobicContact SD-CG2 3.79Å; L513-I565 CarbonylContact O-C 3.57Å; L513-I565 WeakPolarHBondContact O-CA 3.19Å; L514-I565 HydrophobicContact CD1-CG1 4.11Å; M554-I565 WeakPolarHBondContact CE-O 3.29Å
566L93.6Very high88.6Confident3 Ų352.1 Ų52.12%0.01628%0.275CS..EExtended strand (participates in β ladder)trans-117.3126.4-170.5177.160.6000111.1M512 L513 I515 I553 T570 I571 I618M512-L566 WeakPolarHBondContact CA-O 3.5Å; L513-L566 PolarHBondContact N-O 2.73Å; L513-L566 PolarHBondContact O-N 3.24Å; I515-L566 HydrophobicContact CD1-CB 4.19Å; I515-L566 HydrophobicContact CD1-CD2 4.08Å; I553-L566 HydrophobicContact CD1-CD1 3.85Å; I553-L566 HydrophobicContact CD1-CD2 3.44Å; I553-L566 VanDerWaalsContact CD1-CD2 3.44Å; I553-L566 HydrophobicContact CD1-CG 4.3Å; L566-T570 HydrophobicContact CD1-CG2 4.15Å; L566-I571 HydrophobicContact CD2-CD1 3.81Å; L566-I571 HydrophobicContact CD2-CG1 3.9Å; L566-I571 HydrophobicContact CG-CD1 4.31Å; L566-I571 HydrophobicContact CG-CG1 4.24Å; L566-I618 HydrophobicContact CD2-CD1 3.9Å
567K93.5Very high88.3Confident117 Ų11758 Ų5851%0.50930%0.3SS..EExtended strand (participates in β ladder)trans-73.3133.7174.8-72.7178.6176.2-174.20111.1M512 S569 T570 I571M512-K567 HydrophobicContact CE-CG 4.28Å; M512-K567 HydrophobicContact SD-CB 4.36Å; M512-K567 HydrophobicContact SD-CG 3.42Å; M512-K567 WeakPolarHBondContact SD-CG 3.34Å; K567-S569 PolarHBondContact O-N 2.83Å; K567-T570 WeakPolarHBondContact O-CB 3.22Å; K567-T570 PolarHBondContact O-N 3.03Å; K567-I571 PolarHBondContact O-N 2.83Å
568L92Very high87.5Confident0 Ų053.6 Ų53.60%028%0.283CS..Hα-helixtrans-60.8-27.4173.1-67.9-174.4000112.4G511 L513 T570 I571 K572 L661 A664 A665 I674 F675G511-L568 PolarHBondContact O-N 2.86Å; L513-L568 HydrophobicContact CD1-CD2 3.65Å; L513-L568 HydrophobicContact CG-CD2 3.81Å; L568-T570 VanDerWaalsContact C-N 3.34Å; L568-T570 PolarHBondContact O-N 3.22Å; L568-I571 HydrophobicContact CD2-CD1 4.1Å; L568-I571 WeakPolarHBondContact O-CB 3.38Å; L568-I571 PolarHBondContact O-N 2.89Å; L568-K572 PolarHBondContact O-N 3.25Å; L568-L661 HydrophobicContact CD2-CD2 3.85Å; L568-A664 HydrophobicContact CD1-CB 3.99Å; L568-A664 HydrophobicContact CD2-CB 4.21Å; L568-A664 HydrophobicContact CG-CB 4.39Å; L568-A665 HydrophobicContact CD1-CB 3.9Å; L568-I674 HydrophobicContact CB-CD1 4.24Å; L568-I674 HydrophobicContact CB-CG2 3.88Å; L568-I674 HydrophobicContact CD1-CD1 4.17Å; L568-F675 HydrophobicContact CB-CE2 4.44Å; L568-F675 HydrophobicContact CB-CZ 4.12Å; L568-F675 HydrophobicContact CD1-CE2 4.3Å; L568-F675 HydrophobicContact CD2-CZ 4.27Å
569S90Very high87.1Confident52 Ų5255.2 Ų55.236%0.36428%0.284SS..Hα-helixtrans-61.7-39.6171.365.20000112.3K567 I571 K572 D573K567-S569 PolarHBondContact O-N 2.83Å; S569-I571 VanDerWaalsContact C-N 3.28Å; S569-I571 PolarHBondContact O-N 2.84Å; S569-K572 WeakPolarHBondContact O-CB 3.48Å; S569-K572 PolarHBondContact O-N 3.46Å; S569-D573 PolarHBondContact O-N 3.48Å
570T90.6Very high86.4Confident54 Ų5459.7 Ų59.733%0.33130%0.3SS..Hα-helixtrans-64.6-34.6176.9-54.10000111.5L566 K567 L568 H574L566-T570 HydrophobicContact CD1-CG2 4.15Å; K567-T570 WeakPolarHBondContact O-CB 3.22Å; K567-T570 PolarHBondContact O-N 3.03Å; L568-T570 VanDerWaalsContact C-N 3.34Å; L568-T570 PolarHBondContact O-N 3.22Å; T570-H574 VanDerWaalsContact O-CB 3.3Å; T570-H574 WeakPolarHBondContact O-CB 3.26Å; T570-H574 PolarHBondContact O-N 2.77Å; T570-H574 VanDerWaalsContact O-N 3.07Å
571I89.9Confident84.9Confident0 Ų061 Ų610%030%0.299CS..Hα-helixtrans-65.7-47.1172.4-64.5179.2000110.5L513 L548 L566 K567 L568 S569 D573 H574 I575 L616 L656 F675L513-I571 HydrophobicContact CD1-CD1 3.56Å; L548-I571 HydrophobicContact CD2-CB 4.45Å; L548-I571 HydrophobicContact CD2-CG1 4.23Å; L548-I571 HydrophobicContact CD2-CG2 4.15Å; L566-I571 HydrophobicContact CD2-CD1 3.81Å; L566-I571 HydrophobicContact CD2-CG1 3.9Å; L566-I571 HydrophobicContact CG-CD1 4.31Å; L566-I571 HydrophobicContact CG-CG1 4.24Å; K567-I571 PolarHBondContact O-N 2.83Å; L568-I571 HydrophobicContact CD2-CD1 4.1Å; L568-I571 WeakPolarHBondContact O-CB 3.38Å; L568-I571 PolarHBondContact O-N 2.89Å; S569-I571 VanDerWaalsContact C-N 3.28Å; S569-I571 PolarHBondContact O-N 2.84Å; I571-D573 PolarHBondContact O-N 2.85Å; I571-H574 PolarHBondContact O-N 3.26Å; I571-I575 HydrophobicContact CG2-CD1 3.61Å; I571-I575 HydrophobicContact CG2-CG1 4.41Å; I571-I575 WeakPolarHBondContact O-CD1 3.42Å; I571-I575 VanDerWaalsContact O-CG1 3.26Å; I571-I575 WeakPolarHBondContact O-CG1 3.5Å; I571-I575 PolarHBondContact O-N 3.19Å; I571-L616 HydrophobicContact CG2-CD1 4.13Å; I571-L656 HydrophobicContact CD1-CD1 3.99Å; I571-F675 HydrophobicContact CB-CE1 4.48Å; I571-F675 HydrophobicContact CG2-CE1 4.13Å; I571-F675 HydrophobicContact CG2-CZ 4.5Å
572K89.5Confident83Confident50 Ų5061 Ų6122%0.21732%0.315CS..Hα-helixtrans-54.2-53.3174.2179.4-149.2-166157.20111.4L568 S569 H574 I575 Q576 I674 F675 L679L568-K572 PolarHBondContact O-N 3.25Å; S569-K572 WeakPolarHBondContact O-CB 3.48Å; S569-K572 PolarHBondContact O-N 3.46Å; K572-H574 PolarHBondContact O-N 2.95Å; K572-I575 PolarHBondContact O-N 3.01Å; K572-Q576 HydrophobicContact CG-CG 4.48Å; K572-Q576 WeakPolarHBondContact O-CB 3.43Å; K572-Q576 WeakPolarHBondContact O-CG 3.44Å; K572-Q576 PolarHBondContact O-N 2.95Å; K572-I674 WeakPolarHBondContact CD-O 3.44Å; K572-I674 WeakPolarHBondContact CE-O 3.28Å; K572-I674 PolarHBondContact NZ-O 3.24Å; K572-F675 HydrophobicContact CB-CD1 3.86Å; K572-F675 HydrophobicContact CB-CE1 4.1Å; K572-F675 HydrophobicContact CG-CD1 4.32Å; K572-L679 HydrophobicContact CG-CD1 4.02Å
573D88Confident80.4Confident71 Ų7162.3 Ų62.338%0.3833%0.326SS..Hα-helixtrans-60.5-36.2-177.4-59-21.5000111.6S569 I571 K577S569-D573 PolarHBondContact O-N 3.48Å; I571-D573 PolarHBondContact O-N 2.85Å; D573-K577 WeakPolarHBondContact O-CD 3.39Å; D573-K577 VanDerWaalsContact O-CG 3.31Å; D573-K577 WeakPolarHBondContact O-CG 3.47Å; D573-K577 PolarHBondContact O-N 2.92Å; D573-K577 VanDerWaalsContact O-N 3.13Å
574H83.6Confident77.5Confident20 Ų2067 Ų679%0.09335%0.348CS..Hα-helixtrans-67.4-48.5176.3-16992.1000111.9L548 Q551 T570 I571 K572 Q576 K577 L578L548-H574 HydrophobicContact CD2-CB 4.18Å; Q551-H574 PolarHBondContact OE1-CE1 3.32Å; T570-H574 VanDerWaalsContact O-CB 3.3Å; T570-H574 WeakPolarHBondContact O-CB 3.26Å; T570-H574 PolarHBondContact O-N 2.77Å; T570-H574 VanDerWaalsContact O-N 3.07Å; I571-H574 PolarHBondContact O-N 3.26Å; K572-H574 PolarHBondContact O-N 2.95Å; H574-Q576 VanDerWaalsContact C-N 3.31Å; H574-Q576 PolarHBondContact O-N 3.42Å; H574-K577 PolarHBondContact O-N 2.92Å; H574-L578 PolarHBondContact O-N 2.78Å
575I84.6Confident74.2Confident2 Ų271.4 Ų71.41%0.0138%0.378CS..Hα-helixtrans-65.3-37.3178.1-59.5160.3000110.8I571 K572 K577 L578 L579 I614 L616 L679 L683I571-I575 HydrophobicContact CG2-CD1 3.61Å; I571-I575 HydrophobicContact CG2-CG1 4.41Å; I571-I575 WeakPolarHBondContact O-CD1 3.42Å; I571-I575 VanDerWaalsContact O-CG1 3.26Å; I571-I575 WeakPolarHBondContact O-CG1 3.5Å; I571-I575 PolarHBondContact O-N 3.19Å; K572-I575 PolarHBondContact O-N 3.01Å; I575-K577 VanDerWaalsContact C-N 3.34Å; I575-K577 PolarHBondContact O-N 3.13Å; I575-L578 PolarHBondContact O-N 3.46Å; I575-L579 HydrophobicContact CG2-CD1 3.98Å; I575-L579 HydrophobicContact CG2-CG 4.38Å; I575-L579 WeakPolarHBondContact O-CB 3.22Å; I575-L579 WeakPolarHBondContact O-CG 3.4Å; I575-L579 PolarHBondContact O-N 3.34Å; I575-I614 HydrophobicContact CG2-CD1 3.9Å; I575-I614 HydrophobicContact CG2-CG2 4.46Å; I575-L616 HydrophobicContact CD1-CD1 3.68Å; I575-L616 HydrophobicContact CD1-CD2 3.78Å; I575-L616 HydrophobicContact CD1-CG 4.33Å; I575-L616 HydrophobicContact CG1-CD2 3.86Å; I575-L679 HydrophobicContact CB-CD2 4.38Å; I575-L679 HydrophobicContact CG2-CD2 3.6Å; I575-L683 HydrophobicContact CD1-CD1 4.15Å; I575-L683 HydrophobicContact CD1-CD2 4.25Å
576Q83.9Confident71.2Confident73 Ų7373.8 Ų73.834%0.34140%0.398SS..Hα-helixtrans-60.1-42.9173.6-74.7-172-13.500111.6K572 H574 L579 H580 L679K572-Q576 HydrophobicContact CG-CG 4.48Å; K572-Q576 WeakPolarHBondContact O-CB 3.43Å; K572-Q576 WeakPolarHBondContact O-CG 3.44Å; K572-Q576 PolarHBondContact O-N 2.95Å; H574-Q576 VanDerWaalsContact C-N 3.31Å; H574-Q576 PolarHBondContact O-N 3.42Å; Q576-L579 PolarHBondContact O-N 2.59Å; Q576-H580 PolarHBondContact O-N 3.08Å; Q576-H580 PolarHBondContact O-ND1 2.77Å; Q576-L679 HydrophobicContact CG-CD1 3.63Å
577K81.1Confident68.2Low140 Ų14080 Ų8061%0.60944%0.436SS*.Hα-helixtrans-63.1-45.9175.4-71.7164.6-175.9174.40112.3D573 H574 I575 L579 H580 N581D573-K577 WeakPolarHBondContact O-CD 3.39Å; D573-K577 VanDerWaalsContact O-CG 3.31Å; D573-K577 WeakPolarHBondContact O-CG 3.47Å; D573-K577 PolarHBondContact O-N 2.92Å; D573-K577 VanDerWaalsContact O-N 3.13Å; H574-K577 PolarHBondContact O-N 2.92Å; I575-K577 VanDerWaalsContact C-N 3.34Å; I575-K577 PolarHBondContact O-N 3.13Å; K577-L579 VanDerWaalsContact C-N 3.29Å; K577-L579 PolarHBondContact O-N 2.77Å; K577-H580 PolarHBondContact O-N 2.94Å; K577-N581 WeakPolarHBondContact O-CB 3.3Å; K577-N581 PolarHBondContact O-N 3.39Å; K577-N581 PolarHBondContact O-OD1 2.85Å
578L71.3Confident65.1Low57 Ų5781.4 Ų81.430%0.29845%0.45SS..Hα-helixtrans-59.1-39.5176.2-67.9174.9000112.5H574 I575 S582H574-L578 PolarHBondContact O-N 2.78Å; I575-L578 PolarHBondContact O-N 3.46Å; L578-S582 PolarHBondContact O-OG 2.84Å
579L72.7Confident62.1Low62 Ų6288 Ų8833%0.32548%0.483SS..Hα-helixtrans-68.5-46176.5-73.9169.3000112.5I575 Q576 K577 N581 S582 T583 I614 L679I575-L579 HydrophobicContact CG2-CD1 3.98Å; I575-L579 HydrophobicContact CG2-CG 4.38Å; I575-L579 WeakPolarHBondContact O-CB 3.22Å; I575-L579 WeakPolarHBondContact O-CG 3.4Å; I575-L579 PolarHBondContact O-N 3.34Å; Q576-L579 PolarHBondContact O-N 2.59Å; K577-L579 VanDerWaalsContact C-N 3.29Å; K577-L579 PolarHBondContact O-N 2.77Å; L579-N581 PolarHBondContact O-N 3.11Å; L579-S582 WeakPolarHBondContact O-CB 3.41Å; L579-S582 PolarHBondContact O-N 2.88Å; L579-S582 VanDerWaalsContact O-N 3.15Å; L579-T583 PolarHBondContact O-OG1 2.83Å; L579-I614 HydrophobicContact CD1-CD1 4.11Å; L579-I614 HydrophobicContact CD2-CD1 4.16Å; L579-I614 HydrophobicContact CG-CD1 4.43Å; L579-L679 HydrophobicContact CD1-CD2 3.84Å
580H65.4Low59.3Low125 Ų12596.5 Ų96.558%0.57951%0.509SS*.Hα-helixtrans-65-38.6180-75.685.9000112.5Q576 K577 S582 T583Q576-H580 PolarHBondContact O-N 3.08Å; Q576-H580 PolarHBondContact O-ND1 2.77Å; K577-H580 PolarHBondContact O-N 2.94Å; H580-S582 PolarHBondContact O-N 2.91Å; H580-T583 PolarHBondContact O-N 2.79Å; H580-T583 VanDerWaalsContact O-N 3.13Å; H580-T583 PolarHBondContact O-OG1 3.27Å
581N53.1Low56.5Low127 Ų127100.2 Ų100.268%0.67953%0.527SS*.Hα-helixtrans-65.8-16.4177-70.815.8000113K577 L579 T583K577-N581 WeakPolarHBondContact O-CB 3.3Å; K577-N581 PolarHBondContact O-N 3.39Å; K577-N581 PolarHBondContact O-OD1 2.85Å; L579-N581 PolarHBondContact O-N 3.11Å; N581-T583 VanDerWaalsContact C-N 3.34Å
582S45.6Very low53.9Low103 Ų103106.9 Ų106.972%0.7256%0.558SS**THydrogen-bonded Turntrans-870.7176.4-55.90000113.8L578 L579 H580L578-S582 PolarHBondContact O-OG 2.84Å; L579-S582 WeakPolarHBondContact O-CB 3.41Å; L579-S582 PolarHBondContact O-N 2.88Å; L579-S582 VanDerWaalsContact O-N 3.15Å; H580-S582 PolarHBondContact O-N 2.91Å
583T38.7Very low51.1Low105 Ų105110.8 Ų110.864%0.64458%0.581SS**  trans-116.95.3-174.624.40000115.2L579 H580 N581 S585L579-T583 PolarHBondContact O-OG1 2.83Å; H580-T583 PolarHBondContact O-N 2.79Å; H580-T583 VanDerWaalsContact O-N 3.13Å; H580-T583 PolarHBondContact O-OG1 3.27Å; N581-T583 VanDerWaalsContact C-N 3.34Å; T583-S585 PolarHBondContact O-N 3.27Å
584Q31.3Very low48.5Very low175 Ų175114.2 Ų114.282%0.81861%0.605SS**  trans-90.479.9177-68.6-165.1-2.200112.6
585S25.5Very low45.9Very low95 Ų95116.6 Ų116.666%0.66464%0.635SS**  trans-126.799.5161.759.80000109.3T583 T587T583-S585 PolarHBondContact O-N 3.27Å; S585-T587 PolarHBondContact O-N 2.87Å; S585-T587 VanDerWaalsContact O-N 3.16Å
586P31.5Very low43.4Very low118 Ų118124.8 Ų124.877%0.76667%0.673SS**  trans-76.5103.8179.730-32.5000110.3
587T30.8Very low40.8Very low133 Ų133128.1 Ų128.182%0.81669%0.692SS**  trans-104.477.1162.1530000109.1S585 I589S585-T587 PolarHBondContact O-N 2.87Å; S585-T587 VanDerWaalsContact O-N 3.16Å; T587-I589 PolarHBondContact O-N 3.4Å
588D27.8Very low38.4Very low147 Ų147127.3 Ų127.379%0.78670%0.704SS**  trans-64.9120.9158.4-72-54000108.6
589I29.8Very low36.4Very low139 Ų139131.9 Ų131.971%0.71373%0.729SS**  trans176.8110.8148-90.3149.3000105.4T587T587-I589 PolarHBondContact O-N 3.4Å
590Y31.4Very low35Very low231 Ų231133.1 Ų133.191%0.90674%0.741SS**  -166.2134.4114.2-95.1-62.9000108.5
591D30.1Very low33.2Very low131 Ų131133.9 Ų133.970%0.70175%0.749SS**  trans-105.9150.1-176.3-158.16.8000111.7
592H36.6Very low32.2Very low141 Ų141136.6 Ų136.665%0.65376%0.757SS**  trans59.6104.6165.6-72.715000120
593N30.1Very low31.3Very low131 Ų131136 Ų13670%0.70175%0.753SS**  52.9122.2120.9-53-38.3000119.1
594T34.3Very low30.8Very low144 Ų144136 Ų13688%0.88376%0.757SS**  -178.1155.681.328.90000112.9
595G28.8Very low30.7Very low70 Ų70137.5 Ų137.572%0.72276%0.761SS**  trans93.9103.413500000121.7
596H31.7Very low30.8Very low173 Ų173138.3 Ų138.380%0.80177%0.767SS**  trans69.7107.2132.3-104.1-107.5000123.7
597L28.6Very low30.7Very low143 Ų143137.3 Ų137.375%0.74976%0.762SS**  trans58.2145.1132.7-66.1-175.7000124.2
598S30.7Very low30.5Very low124 Ų124137.1 Ų137.187%0.86776%0.762SS**  trans94.3156.6152.279.10000119.4
599N30.1Very low30.7Very low152 Ų152135.3 Ų135.381%0.81376%0.756SS**  trans-166.1159.9-156-167.645.7000107
600P42.9Very low30.7Very low88 Ų88139.4 Ų139.457%0.57176%0.764SS**  cis-124.8-159.4-17.531.1-8.7000112.5
601N27.6Very low31.4Very low141 Ų141134.8 Ų134.875%0.75475%0.751SS**  trans73.1102.1155.8-59.5-16.3000120.1
602H32.5Very low32.5Very low184 Ų184133.2 Ų133.285%0.85275%0.75SS**  -162.5157.5105.8-120.6-82.7000114.9
603S27.5Very low33.9Very low92 Ų92132.9 Ų132.964%0.64375%0.75SS**  trans-53.4136.7178.453.70000117.5
604S26.6Very low36.2Very low103 Ų103128.8 Ų128.872%0.7273%0.728SS**  158152.394.362.50000115.5
605K29.5Very low38.4Very low207 Ų207128.2 Ų128.290%0.972%0.715SS**  trans50.9105.5156.6-65.8172.7-179.2176.20119.5
606S27.6Very low41.2Very low112 Ų112125.1 Ų125.178%0.78368%0.682SS**  trans-146.3128.5148.8520000113.6
607S29.2Very low44Very low97 Ų97120.6 Ų120.668%0.67866%0.658SS**  trans28.5115.5153.254.70000120.9T609S607-T609 VanDerWaalsContact C-N 3.35Å; S607-T609 PolarHBondContact O-N 3.09Å
608T27.2Very low47.1Very low130 Ų130113.8 Ų113.880%0.79862%0.622SS**  trans-67.188.6151.548.30000110.6Y610T608-Y610 PolarHBondContact O-N 2.78Å
609T31.4Very low49.9Very low109 Ų109108.3 Ų108.367%0.66958%0.584SS**  trans-70.9111.6172-55.60000109.5S607 H611S607-T609 VanDerWaalsContact C-N 3.35Å; S607-T609 PolarHBondContact O-N 3.09Å; T609-H611 VanDerWaalsContact C-N 3.33Å; T609-H611 PolarHBondContact O-N 3.45Å
610Y30.9Very low52.8Low224 Ų224101.1 Ų101.188%0.87855%0.545SS*.  trans-65.191.9170.7-80.5-89.5000109.7T608 S612T608-Y610 PolarHBondContact O-N 2.78Å; Y610-S612 PolarHBondContact O-N 3.43Å
611H45.2Very low54.9Low135 Ų13598.1 Ų98.163%0.62552%0.524SS*.PPolyproline II helixtrans-69.5116174.8-133.8-36.2000108.4T609 M613T609-H611 VanDerWaalsContact C-N 3.33Å; T609-H611 PolarHBondContact O-N 3.45Å; H611-M613 PolarHBondContact O-N 3.45Å
612S54.5Low57.6Low98 Ų9891.4 Ų91.469%0.68549%0.488SS*.PPolyproline II helixtrans-57.4127.9177.539.30000110.8Y610Y610-S612 PolarHBondContact O-N 3.43Å
613M65Low59.9Low134 Ų13483.3 Ų83.366%0.6645%0.451SS*.PPolyproline II helixtrans-64.5143.2172.5-69.2-174.1-179.100109.8H611 E615 K682H611-M613 PolarHBondContact O-N 3.45Å; M613-E615 PolarHBondContact O-N 2.88Å; M613-K682 CarbonylContact C-O 3.58Å; M613-K682 VanDerWaalsContact CA-O 3.32Å; M613-K682 WeakPolarHBondContact CA-O 3.49Å
614I78.3Confident61.7Low45 Ų4579.5 Ų79.523%0.23142%0.424CS..  trans-77.4107.7176.2-61.4174.2000107.7I575 L579 L616 K682 L683I575-I614 HydrophobicContact CG2-CD1 3.9Å; I575-I614 HydrophobicContact CG2-CG2 4.46Å; L579-I614 HydrophobicContact CD1-CD1 4.11Å; L579-I614 HydrophobicContact CD2-CD1 4.16Å; L579-I614 HydrophobicContact CG-CD1 4.43Å; I614-L616 HydrophobicContact CG2-CD2 3.91Å; I614-L616 HydrophobicContact CG2-CG 4.47Å; I614-L616 PolarHBondContact O-N 3.24Å; I614-K682 HydrophobicContact CD1-CB 3.96Å; I614-K682 HydrophobicContact CD1-CD 4.17Å; I614-K682 HydrophobicContact CG1-CB 4.23Å; I614-K682 PolarHBondContact N-O 2.97Å; I614-L683 HydrophobicContact CB-CD2 4.1Å; I614-L683 HydrophobicContact CG2-CD2 4.42Å
615E80.6Confident63.1Low132 Ų13275.6 Ų75.662%0.61740%0.396SS*.  trans-72.2127.2172.8-175161.7-131.700110.5N549 M613 H655N549-E615 PolarHBondContact ND2-O 2.82Å; M613-E615 PolarHBondContact O-N 2.88Å; E615-H655 IonicContact OE1-CE1 2.74Å; E615-H655 PolarHBondContact OE1-CE1 3.29Å; E615-H655 IonicContact OE1-ND1 3.59Å; E615-H655 PolarHBondContact OE1-ND1 2.89Å
616L88.3Confident64.1Low4 Ų470.6 Ų70.62%0.02138%0.383CS..  trans-117134.6177.8-62.5-178.6000109.8L548 N549 I571 I575 I614 H655 L656 L661 L683L548-L616 HydrophobicContact CD1-CB 4.47Å; N549-L616 VanDerWaalsContact OD1-CA 3.28Å; N549-L616 WeakPolarHBondContact OD1-CA 3.44Å; I571-L616 HydrophobicContact CG2-CD1 4.13Å; I575-L616 HydrophobicContact CD1-CD1 3.68Å; I575-L616 HydrophobicContact CD1-CD2 3.78Å; I575-L616 HydrophobicContact CD1-CG 4.33Å; I575-L616 HydrophobicContact CG1-CD2 3.86Å; I614-L616 HydrophobicContact CG2-CD2 3.91Å; I614-L616 HydrophobicContact CG2-CG 4.47Å; I614-L616 PolarHBondContact O-N 3.24Å; L616-H655 CarbonylContact O-C 3.53Å; L616-H655 VanDerWaalsContact O-CA 3.24Å; L616-H655 WeakPolarHBondContact O-CA 3.33Å; L616-L656 HydrophobicContact CB-CB 4.02Å; L616-L656 HydrophobicContact CB-CD1 4.2Å; L616-L656 HydrophobicContact CB-CG 4.37Å; L616-L656 HydrophobicContact CD1-CD1 4.31Å; L616-L656 PolarHBondContact O-N 2.85Å; L616-L661 HydrophobicContact CD1-CD1 4.36Å; L616-L683 HydrophobicContact CD1-CD2 3.58Å; L616-L683 HydrophobicContact CG-CD2 3.91Å
617Y90.4Very high64.9Low78 Ų7873.9 Ų73.931%0.30639%0.386SS..EExtended strand (participates in β ladder)trans-139.1144.617264.9-90.5000111.9N549 T619 P653 I654N549-Y617 HydrophobicContact CB-CE1 4.23Å; N549-Y617 PolarHBondContact N-O 2.92Å; N549-Y617 PolarHBondContact O-OH 2.84Å; N549-Y617 PolarHBondContact OD1-N 3.33Å; N549-Y617 PolarHBondContact OD1-O 2.98Å; Y617-T619 HydrophobicContact CD2-CG2 4.35Å; Y617-P653 HydrophobicContact CD2-CB 3.71Å; Y617-P653 HydrophobicContact CE2-CB 4.49Å; Y617-P653 HydrophobicContact CG-CB 4.13Å; Y617-I654 CarbonylContact C-O 3.56Å; Y617-I654 VanDerWaalsContact CA-O 3.24Å; Y617-I654 WeakPolarHBondContact CA-O 3.39Å
618I92.4Very high65.4Low0 Ų074.4 Ų74.40%038%0.381CS..EExtended strand (participates in β ladder)trans-106.3139.1173.1-70.1-173.8000110.2I504 I515 V546 C547 L548 L566 P653 I654 L656I504-I618 HydrophobicContact CD1-CB 3.93Å; I504-I618 HydrophobicContact CD1-CD1 4.25Å; I504-I618 HydrophobicContact CD1-CG1 4.46Å; I504-I618 HydrophobicContact CD1-CG2 4.31Å; I515-I618 HydrophobicContact CD1-CD1 3.75Å; I515-I618 HydrophobicContact CD1-CG2 4.33Å; V546-I618 HydrophobicContact CG1-CG2 3.77Å; C547-I618 VanDerWaalsContact O-CA 3.28Å; C547-I618 WeakPolarHBondContact O-CA 3.47Å; L548-I618 HydrophobicContact CD1-CD1 4.43Å; L548-I618 HydrophobicContact CD1-CG1 3.77Å; L566-I618 HydrophobicContact CD2-CD1 3.9Å; I618-P653 WeakPolarHBondContact O-CA 3.28Å; I618-I654 PolarHBondContact N-O 3.02Å; I618-I654 PolarHBondContact O-N 3.12Å; I618-L656 HydrophobicContact CD1-CD1 4.03Å; I618-L656 HydrophobicContact CD1-CD2 4.15Å; I618-L656 HydrophobicContact CD1-CG 4.45Å; I618-L656 HydrophobicContact CG1-CD1 4.14Å; I618-L656 HydrophobicContact CG1-CD2 4.4Å; I618-L656 HydrophobicContact CG1-CG 4.35Å
619T91Very high66Low10 Ų1070.8 Ų70.86%0.06136%0.361CS..EExtended strand (participates in β ladder)trans-122.9153.9164.853.10000110.3C547 Y617 H621 A650 S651 P653C547-T619 PolarHBondContact N-O 2.96Å; C547-T619 PolarHBondContact O-N 3.32Å; Y617-T619 HydrophobicContact CD2-CG2 4.35Å; T619-H621 PolarHBondContact OG1-NE2 2.92Å; T619-A650 HydrophobicContact CG2-CB 4.18Å; T619-S651 WeakPolarHBondContact CA-OG 3.38Å; T619-P653 HydrophobicContact CG2-CB 3.97Å
620V90.6Very high65.9Low0 Ų070.2 Ų70.20%036%0.361CS..EExtended strand (participates in β ladder)trans-121.1133.8171.1-168.30000108.8P499 V502 I515 W517 Y544 T545 V546 S651P499-V620 WeakPolarHBondContact CD-O 3.48Å; P499-V620 HydrophobicContact CG-CB 3.77Å; P499-V620 HydrophobicContact CG-CG1 3.76Å; V502-V620 HydrophobicContact CG1-CG2 3.82Å; V502-V620 HydrophobicContact CG2-CB 4.44Å; V502-V620 HydrophobicContact CG2-CG2 4.43Å; I515-V620 HydrophobicContact CG2-CG2 4.23Å; W517-V620 HydrophobicContact CD2-CG1 4.2Å; W517-V620 HydrophobicContact CE3-CG1 4.16Å; W517-V620 HydrophobicContact CE3-CG2 4.1Å; W517-V620 HydrophobicContact CH2-CG1 4.38Å; W517-V620 HydrophobicContact CZ2-CG1 4.4Å; W517-V620 HydrophobicContact CZ3-CG1 4.25Å; W517-V620 HydrophobicContact CZ3-CG2 4.31Å; Y544-V620 HydrophobicContact CD1-CG1 4.47Å; T545-V620 CarbonylContact O-C 3.17Å; T545-V620 WeakPolarHBondContact O-CA 3.33Å; V546-V620 HydrophobicContact CG2-CG1 4.42Å; V546-V620 HydrophobicContact CG2-CG2 4.34Å; V620-S651 PolarHBondContact N-OG 3.39Å; V620-S651 WeakPolarHBondContact O-CB 3.48Å; V620-S651 PolarHBondContact O-N 3.13Å
621H86.8Confident65.8Low26 Ų2669.2 Ų69.212%0.1236%0.361CS..EExtended strand (participates in β ladder)trans-119.1143.4-175.4-63.7-114.7000109.9Y544 T545 T619 E647 G648 A650Y544-H621 CarbonylContact C-O 3.51Å; Y544-H621 WeakPolarHBondContact CA-O 3.24Å; Y544-H621 WeakPolarHBondContact CB-O 3.39Å; T545-H621 PolarHBondContact N-O 2.57Å; T545-H621 PolarHBondContact O-N 2.81Å; T619-H621 PolarHBondContact OG1-NE2 2.92Å; H621-E647 HydrophobicContact CB-CB 4.34Å; H621-G648 PolarHBondContact ND1-O 3.21Å; H621-G648 VanDerWaalsContact ND1-O 3.08Å; H621-A650 VanDerWaalsContact CE1-CB 3.42Å; H621-A650 WeakPolarHBondContact CE1-CB 3.36Å
622S84.7Confident65.1Low0 Ų071.7 Ų71.70%037%0.373CS..EExtended strand (participates in β ladder)trans-84.3130.5172.3-62.10000110.5D497 V520 G648D497-S622 PolarHBondContact O-OG 2.86Å; V520-S622 WeakPolarHBondContact CG2-OG 3.4Å; S622-G648 WeakPolarHBondContact O-CA 2.92Å; S622-G648 PolarHBondContact O-N 2.83Å
623T79.8Confident63.7Low13 Ų1376.6 Ų76.68%0.0839%0.385CS..EExtended strand (participates in β ladder)trans-99.3149.3-177.665.30000113.4V541 Q542 G543 T545V541-T623 CarbonylContact C-O 3.2Å; V541-T623 WeakPolarHBondContact CA-O 3.08Å; Q542-T623 PolarHBondContact N-O 2.99Å; G543-T623 WeakPolarHBondContact CA-OG1 3.19Å; G543-T623 PolarHBondContact N-OG1 3.23Å; G543-T623 PolarHBondContact O-N 3.23Å; G543-T623 PolarHBondContact O-OG1 3.21Å; T545-T623 VanDerWaalsContact OG1-CG2 3.23Å; T545-T623 WeakPolarHBondContact OG1-CG2 3.31Å
624I66Low61.9Low12 Ų1278.1 Ų78.16%0.06239%0.394CS..  trans-116.3163179.355.6153.9000112.4L495 P496 L539 T626 S646L495-I624 HydrophobicContact CD2-CD1 3.58Å; L495-I624 HydrophobicContact CD2-CG1 3.9Å; L495-I624 HydrophobicContact CD2-CG2 4.35Å; P496-I624 HydrophobicContact CG-CG2 3.6Å; L539-I624 HydrophobicContact CB-CB 4.31Å; L539-I624 HydrophobicContact CB-CG2 3.76Å; L539-I624 HydrophobicContact CD1-CB 4.1Å; L539-I624 HydrophobicContact CD1-CD1 3.75Å; L539-I624 HydrophobicContact CD1-CG2 4Å; I624-T626 PolarHBondContact O-N 2.85Å; I624-S646 WeakPolarHBondContact CG1-O 3.29Å; I624-S646 PolarHBondContact N-O 3.28Å; I624-S646 VanDerWaalsContact N-O 3.12Å
625P55.5Low59.4Low22 Ų2283.2 Ų83.214%0.14342%0.422CS..  trans-59126.8175.7-17.628.4000112Q542 E627 L628Q542-P625 HydrophobicContact CG-CG 3.92Å; P625-E627 PolarHBondContact O-N 3.31Å; P625-E627 VanDerWaalsContact O-N 3.16Å; P625-L628 PolarHBondContact O-N 3.29Å
626T51.8Low56.9Low101 Ų10184 Ų8462%0.6243%0.428SS*.G310 helixtrans-64.9-21.5-173-15.20000114.1I624 L628 S629I624-T626 PolarHBondContact O-N 2.85Å; T626-L628 PolarHBondContact O-N 3.32Å; T626-L628 VanDerWaalsContact O-N 3.08Å; T626-S629 PolarHBondContact O-N 3.21Å
627E43.2Very low53.9Low181 Ų18188.4 Ų88.485%0.84646%0.46SS*.G310 helixtrans-64-10.8-177.5-63.5177.8175.600114.3P625P625-E627 PolarHBondContact O-N 3.31Å; P625-E627 VanDerWaalsContact O-N 3.16Å
628L40.9Very low50.9Low109 Ų10994.4 Ų94.457%0.57149%0.487SS*.G310 helixtrans-98.9-7.2177.9-80.8159.9000114.7L539 P625 T626 S630L539-L628 HydrophobicContact CD1-CD1 3.99Å; L539-L628 HydrophobicContact CD2-CD1 3.41Å; L539-L628 VanDerWaalsContact CD2-CD1 3.41Å; L539-L628 HydrophobicContact CG-CD1 4.37Å; P625-L628 PolarHBondContact O-N 3.29Å; T626-L628 PolarHBondContact O-N 3.32Å; T626-L628 VanDerWaalsContact O-N 3.08Å; L628-S630 VanDerWaalsContact C-N 3.31Å; L628-S630 PolarHBondContact O-N 2.97Å
629S38.6Very low47.7Very low54 Ų54103.4 Ų103.438%0.37853%0.529SS..SBendtrans-83.71.7-175.6-170.90000114.5T626T626-S629 PolarHBondContact O-N 3.21Å
630S28.7Very low44.5Very low96 Ų96109.7 Ų109.767%0.67157%0.572SS**  trans-110.643-166.656.30000115L628L628-S630 VanDerWaalsContact C-N 3.31Å; L628-S630 PolarHBondContact O-N 2.97Å
631K30.4Very low41.5Very low203 Ų203115.4 Ų115.488%0.88361%0.608SS**  trans-13650.9171.1-76.1-162.3175.6-176.10114.8
632Q29.3Very low38.9Very low188 Ų188121.2 Ų121.288%0.87964%0.639SS**SBendtrans-151.6149.6151.9-113.3163.619.400109.9
633E26.1Very low36.7Very low200 Ų200127.1 Ų127.194%0.93567%0.669SS**  trans-75130.6-162.5-63.1175.5128.900112.6
634I26.6Very low34.7Very low166 Ų166136.5 Ų136.585%0.85171%0.709SS**  trans-89.2129173.8-62.1173.7000108.8
635N26Very low33.4Very low152 Ų152137.1 Ų137.181%0.81372%0.718SS**  trans-147.1156.6160.6-136.9-31.9000110.6
636I28.8Very low32.9Very low148 Ų148137.7 Ų137.776%0.75972%0.723SS**SBendtrans77.879.7179.1-48.1175.6000116.1
637S24.7Very low32.9Very low97 Ų97134.9 Ų134.968%0.67870%0.702SS**  trans45.9120.5133.865.70000124
638K27.3Very low33.6Very low204 Ų204126.5 Ų126.589%0.88766%0.664SS**  53.679.5129.6-60.5-175.1177.2-177.70119.8
639E24.9Very low34.8Very low189 Ų189124.1 Ų124.188%0.88366%0.655SS**  -162.1156.3118.2-122-173.914700111.1T641E639-T641 PolarHBondContact O-N 3.06Å
640C24.5Very low36.6Very low142 Ų142123.7 Ų123.796%0.95966%0.655SS**  trans-82.983.2-172.3-76.60000113.2
641T27Very low39.3Very low121 Ų121119.5 Ų119.574%0.74263%0.626SS**  trans-108.8134.916055.10000110.7E639 I643E639-T641 PolarHBondContact O-N 3.06Å; T641-I643 PolarHBondContact O-N 3.3Å
642L31.6Very low41.8Very low148 Ų148118.6 Ų118.678%0.77562%0.622SS**  trans-75.596.7-171.8-148.376.7000112.1
643I38.3Very low44.5Very low124 Ų124112.9 Ų112.964%0.63660%0.601SS**  trans6.3106.8161.2-43.1-179.5000116.7T641 G645T641-I643 PolarHBondContact O-N 3.3Å; I643-G645 PolarHBondContact O-N 3.01Å
644K39.1Very low47.5Very low210 Ų210105.5 Ų105.591%0.91357%0.568SS**THydrogen-bonded Turntrans-65.525.2169.4-80.7-178.5169.5175.70115.5
645G38.9Very low50.5Low25 Ų25101.8 Ų101.826%0.25855%0.547SS..THydrogen-bonded Turntrans-101.5-25.3-169.500000115.5I643I643-G645 PolarHBondContact O-N 3.01Å
646S45.2Very low53.6Low34 Ų3495.2 Ų95.224%0.23851%0.511CS..SBendtrans-115.31.5-173.152.70000114.6I624I624-S646 WeakPolarHBondContact CG1-O 3.29Å; I624-S646 PolarHBondContact N-O 3.28Å; I624-S646 VanDerWaalsContact N-O 3.12Å
647E52Low56.6Low41 Ų4192 Ų9219%0.19250%0.499CS..EExtended strand (participates in β ladder)trans-110.6130.5-176.4-57.6-162.7142.600111.1T545 H621T545-E647 WeakPolarHBondContact CB-OE1 3.41Å; T545-E647 VanDerWaalsContact CG2-OE1 3.25Å; T545-E647 WeakPolarHBondContact CG2-OE1 3.42Å; T545-E647 PolarHBondContact OG1-OE1 3.16Å; H621-E647 HydrophobicContact CB-CB 4.34Å
648G57.1Low59.7Low5 Ų588.1 Ų88.15%0.05247%0.472CS..EExtended strand (participates in β ladder)trans-73.6178.7175.100000114.4H621 S622 A650H621-G648 PolarHBondContact ND1-O 3.21Å; H621-G648 VanDerWaalsContact ND1-O 3.08Å; S622-G648 WeakPolarHBondContact O-CA 2.92Å; S622-G648 PolarHBondContact O-N 2.83Å; G648-A650 PolarHBondContact O-N 3.23Å
649P65.4Low62.7Low59 Ų5979.9 Ų79.938%0.38344%0.44SS..EExtended strand (participates in β ladder)trans-43.2137.9168.518-33.6000112P496 P498P496-P649 VanDerWaalsContact O-CD 3.31Å; P496-P649 WeakPolarHBondContact O-CD 3.49Å; P496-P649 WeakPolarHBondContact O-CG 3.43Å; P498-P649 HydrophobicContact CB-CB 4.44Å; P498-P649 WeakPolarHBondContact CB-O 3.34Å; P498-P649 HydrophobicContact CG-CB 4.44Å
650A76.2Confident65.9Low45 Ų4572.1 Ų72.137%0.37241%0.405SS..EExtended strand (participates in β ladder)trans-70.3148.5175.300000110.9P498 T619 H621 G648P498-A650 WeakPolarHBondContact CB-O 3.38Å; T619-A650 HydrophobicContact CG2-CB 4.18Å; H621-A650 VanDerWaalsContact CE1-CB 3.42Å; H621-A650 WeakPolarHBondContact CE1-CB 3.36Å; G648-A650 PolarHBondContact O-N 3.23Å
651S85.8Confident69.1Low8 Ų865.4 Ų65.46%0.05636%0.36CS..PPolyproline II helixtrans-55.8166.215774.40000111.1V502 T619 V620V502-S651 VanDerWaalsContact CG2-CB 3.47Å; T619-S651 WeakPolarHBondContact CA-OG 3.38Å; V620-S651 PolarHBondContact N-OG 3.39Å; V620-S651 WeakPolarHBondContact O-CB 3.48Å; V620-S651 PolarHBondContact O-N 3.13Å
652K82.8Confident72.2Confident185 Ų18559.7 Ų59.780%0.80432%0.324SS*.PPolyproline II helixtrans-56.2138.8162.8-66.7-179.2180177.60109
653P86.2Confident75Confident68 Ų6856.5 Ų56.544%0.44231%0.308SS..PPolyproline II helixtrans-69.1137.317628.4-33.9000110.4Y617 I618 T619Y617-P653 HydrophobicContact CD2-CB 3.71Å; Y617-P653 HydrophobicContact CE2-CB 4.49Å; Y617-P653 HydrophobicContact CG-CB 4.13Å; I618-P653 WeakPolarHBondContact O-CA 3.28Å; T619-P653 HydrophobicContact CG2-CB 3.97Å
654I89.8Confident77.6Confident45 Ų4550.7 Ų50.723%0.23128%0.278CS..EExtended strand (participates in β ladder)trans-113119.2174.5-57.1175000107.9V502 I504 Y617 I618V502-I654 HydrophobicContact CB-CD1 3.84Å; V502-I654 HydrophobicContact CG1-CD1 3.68Å; V502-I654 WeakPolarHBondContact O-CD1 3.3Å; I504-I654 HydrophobicContact CD1-CB 3.83Å; I504-I654 HydrophobicContact CD1-CD1 4.32Å; I504-I654 HydrophobicContact CD1-CG2 3.71Å; I504-I654 HydrophobicContact CG1-CB 4.44Å; I504-I654 HydrophobicContact CG1-CD1 4.09Å; I504-I654 HydrophobicContact CG1-CG2 4.1Å; Y617-I654 CarbonylContact C-O 3.56Å; Y617-I654 VanDerWaalsContact CA-O 3.24Å; Y617-I654 WeakPolarHBondContact CA-O 3.39Å; I618-I654 PolarHBondContact N-O 3.02Å; I618-I654 PolarHBondContact O-N 3.12Å
655H89.8Confident80.1Confident88 Ų8840.7 Ų40.741%0.40724%0.235SC..EExtended strand (participates in β ladder)trans-80.8127.2-175-65.4-125.7000109.7E615 L616 T657E615-H655 IonicContact OE1-CE1 2.74Å; E615-H655 PolarHBondContact OE1-CE1 3.29Å; E615-H655 IonicContact OE1-ND1 3.59Å; E615-H655 PolarHBondContact OE1-ND1 2.89Å; L616-H655 CarbonylContact O-C 3.53Å; L616-H655 VanDerWaalsContact O-CA 3.24Å; L616-H655 WeakPolarHBondContact O-CA 3.33Å; H655-T657 PolarHBondContact O-N 3.34Å
656L90.3Very high82.5Confident14 Ų1440.8 Ų40.87%0.07324%0.235CC..  trans-79.8107.7178.6-60.1177.9000109.2I504 L513 L548 I571 L616 I618 L660 L661I504-L656 HydrophobicContact CD1-CD2 3.76Å; I504-L656 HydrophobicContact CG2-CD2 4.27Å; L513-L656 HydrophobicContact CD1-CD2 4.35Å; L548-L656 HydrophobicContact CD1-CD1 3.97Å; I571-L656 HydrophobicContact CD1-CD1 3.99Å; L616-L656 HydrophobicContact CB-CB 4.02Å; L616-L656 HydrophobicContact CB-CD1 4.2Å; L616-L656 HydrophobicContact CB-CG 4.37Å; L616-L656 HydrophobicContact CD1-CD1 4.31Å; L616-L656 PolarHBondContact O-N 2.85Å; I618-L656 HydrophobicContact CD1-CD1 4.03Å; I618-L656 HydrophobicContact CD1-CD2 4.15Å; I618-L656 HydrophobicContact CD1-CG 4.45Å; I618-L656 HydrophobicContact CG1-CD1 4.14Å; I618-L656 HydrophobicContact CG1-CD2 4.4Å; I618-L656 HydrophobicContact CG1-CG 4.35Å; L656-L660 HydrophobicContact CD2-CD2 3.97Å; L656-L661 HydrophobicContact CB-CD2 4.4Å; L656-L661 HydrophobicContact CD1-CD2 4.38Å
657T91.3Very high84.7Confident80 Ų8040.1 Ų40.149%0.49123%0.231SC..  trans-80.3153.1178.165.20000111.6H655 S659 L660 L661H655-T657 PolarHBondContact O-N 3.34Å; T657-S659 PolarHBondContact O-N 3.47Å; T657-L660 PolarHBondContact O-N 3.43Å; T657-L660 VanDerWaalsContact O-N 3.08Å; T657-L660 WeakPolarHBondContact OG1-CB 3.43Å; T657-L660 PolarHBondContact OG1-N 2.6Å; T657-L661 PolarHBondContact O-N 2.86Å
658A89.5Confident86.6Confident15 Ų1538.5 Ų38.512%0.12422%0.224CC..Hα-helixtrans-52.8-42.5174.600000112.4L660 L661 I662 L683 G684 I685 T689A658-L660 PolarHBondContact O-N 2.92Å; A658-L661 PolarHBondContact O-N 3.43Å; A658-I662 WeakPolarHBondContact O-CD1 3.26Å; A658-I662 VanDerWaalsContact O-CG1 3.23Å; A658-I662 WeakPolarHBondContact O-CG1 3.28Å; A658-I662 PolarHBondContact O-N 2.98Å; A658-L683 WeakPolarHBondContact CB-O 3.4Å; A658-G684 WeakPolarHBondContact CB-O 3.25Å; A658-I685 HydrophobicContact CB-CG1 4.19Å; A658-T689 HydrophobicContact CB-CG2 3.88Å
659S90.8Very high88.1Confident31 Ų3139.7 Ų39.722%0.21723%0.228CC..Hα-helixtrans-63.2-38.7177.6-61.80000113.1T657 I662 L663 T689T657-S659 PolarHBondContact O-N 3.47Å; S659-I662 PolarHBondContact O-N 2.84Å; S659-L663 WeakPolarHBondContact O-CB 3.33Å; S659-L663 WeakPolarHBondContact O-CD1 3.47Å; S659-L663 WeakPolarHBondContact O-CG 3.26Å; S659-L663 PolarHBondContact O-N 3.19Å; S659-T689 PolarHBondContact OG-O 2.8Å
660L91.6Very high89.3Confident27 Ų2738.7 Ų38.714%0.14122%0.22CC..Hα-helixtrans-66.3-40.9173.9178.263000111.7I504 L513 L656 T657 A658 I662 L663 A664I504-L660 HydrophobicContact CB-CD2 4.21Å; I504-L660 HydrophobicContact CG2-CD2 3.93Å; L513-L660 HydrophobicContact CD2-CD1 4.15Å; L513-L660 HydrophobicContact CD2-CD2 4.44Å; L513-L660 HydrophobicContact CD2-CG 3.99Å; L656-L660 HydrophobicContact CD2-CD2 3.97Å; T657-L660 PolarHBondContact O-N 3.43Å; T657-L660 VanDerWaalsContact O-N 3.08Å; T657-L660 WeakPolarHBondContact OG1-CB 3.43Å; T657-L660 PolarHBondContact OG1-N 2.6Å; A658-L660 PolarHBondContact O-N 2.92Å; L660-I662 VanDerWaalsContact C-N 3.34Å; L660-I662 PolarHBondContact O-N 3.21Å; L660-L663 PolarHBondContact O-N 3.2Å; L660-A664 VanDerWaalsContact O-CB 3.26Å; L660-A664 WeakPolarHBondContact O-CB 3.2Å; L660-A664 PolarHBondContact O-N 2.79Å
661L92.1Very high90Very high1 Ų136.5 Ų36.51%0.00520%0.203CC..Hα-helixtrans-66.1-34.5176.6-65.7175.4000112.6L513 L568 L616 L656 T657 A658 A665 F675 L683 I685L513-L661 HydrophobicContact CD1-CD2 4.29Å; L568-L661 HydrophobicContact CD2-CD2 3.85Å; L616-L661 HydrophobicContact CD1-CD1 4.36Å; L656-L661 HydrophobicContact CB-CD2 4.4Å; L656-L661 HydrophobicContact CD1-CD2 4.38Å; T657-L661 PolarHBondContact O-N 2.86Å; A658-L661 PolarHBondContact O-N 3.43Å; L661-A665 WeakPolarHBondContact O-CB 3.47Å; L661-A665 PolarHBondContact O-N 2.72Å; L661-F675 HydrophobicContact CD2-CZ 4.36Å; L661-L683 HydrophobicContact CD1-CD1 4.38Å; L661-I685 HydrophobicContact CB-CD1 3.97Å; L661-I685 HydrophobicContact CD1-CD1 4.15Å
662I91.9Very high90.3Very high0 Ų038.8 Ų38.80%021%0.211CC..Hα-helixtrans-74-41.9175.9-65.1161.6000110.9A658 S659 L660 A664 A665 G666 A671 I685 A690 V695A658-I662 WeakPolarHBondContact O-CD1 3.26Å; A658-I662 VanDerWaalsContact O-CG1 3.23Å; A658-I662 WeakPolarHBondContact O-CG1 3.28Å; A658-I662 PolarHBondContact O-N 2.98Å; S659-I662 PolarHBondContact O-N 2.84Å; L660-I662 VanDerWaalsContact C-N 3.34Å; L660-I662 PolarHBondContact O-N 3.21Å; I662-A664 VanDerWaalsContact C-N 3.34Å; I662-A664 PolarHBondContact O-N 3.01Å; I662-A665 PolarHBondContact O-N 2.66Å; I662-G666 PolarHBondContact O-N 3.24Å; I662-A671 HydrophobicContact CG1-CB 4.42Å; I662-I685 HydrophobicContact CD1-CB 4.35Å; I662-I685 HydrophobicContact CD1-CG1 4.33Å; I662-I685 HydrophobicContact CD1-CG2 3.96Å; I662-I685 HydrophobicContact CG1-CB 4.4Å; I662-I685 HydrophobicContact CG1-CG1 4.12Å; I662-I685 HydrophobicContact CG1-CG2 3.79Å; I662-A690 HydrophobicContact CD1-CB 4.2Å; I662-A690 HydrophobicContact CG2-CB 4Å; I662-V695 HydrophobicContact CG2-CB 3.77Å; I662-V695 HydrophobicContact CG2-CG1 3.63Å; I662-V695 HydrophobicContact CG2-CG2 4.05Å
663L90.9Very high90.7Very high82 Ų8236.2 Ų36.243%0.42920%0.199SC..Hα-helixtrans-58.5-45.8172.6-81.7160.2000111.7A506 S659 L660 A665 G666 A693 V695A506-L663 HydrophobicContact CB-CB 4.44Å; S659-L663 WeakPolarHBondContact O-CB 3.33Å; S659-L663 WeakPolarHBondContact O-CD1 3.47Å; S659-L663 WeakPolarHBondContact O-CG 3.26Å; S659-L663 PolarHBondContact O-N 3.19Å; L660-L663 PolarHBondContact O-N 3.2Å; L663-A665 PolarHBondContact O-N 2.74Å; L663-G666 PolarHBondContact O-N 2.98Å; L663-A693 HydrophobicContact CD1-CB 4.36Å; L663-A693 HydrophobicContact CG-CB 4.14Å; L663-V695 HydrophobicContact CD2-CG2 3.6Å; L663-V695 HydrophobicContact CG-CG2 3.89Å
664A92.3Very high90.9Very high2 Ų234.5 Ų34.52%0.01719%0.186CC..THydrogen-bonded Turntrans-66-14.5175.600000114.2G511 M512 L513 L568 L660 I662G511-A664 WeakPolarHBondContact CA-O 3.42Å; G511-A664 PolarHBondContact N-O 2.73Å; M512-A664 PolarHBondContact N-O 3.14Å; M512-A664 WeakPolarHBondContact O-CB 3.39Å; L513-A664 HydrophobicContact CD2-CB 3.46Å; L513-A664 VanDerWaalsContact CD2-CB 3.46Å; L513-A664 HydrophobicContact CG-CB 3.84Å; L568-A664 HydrophobicContact CD1-CB 3.99Å; L568-A664 HydrophobicContact CD2-CB 4.21Å; L568-A664 HydrophobicContact CG-CB 4.39Å; L660-A664 VanDerWaalsContact O-CB 3.26Å; L660-A664 WeakPolarHBondContact O-CB 3.2Å; L660-A664 PolarHBondContact O-N 2.79Å; I662-A664 VanDerWaalsContact C-N 3.34Å; I662-A664 PolarHBondContact O-N 3.01Å
665A92.2Very high91Very high0 Ų032.5 Ų32.50%018%0.176CC..THydrogen-bonded Turntrans-97-7175.800000113.7L568 L661 I662 L663 S667 T670 A671 I674L568-A665 HydrophobicContact CD1-CB 3.9Å; L661-A665 WeakPolarHBondContact O-CB 3.47Å; L661-A665 PolarHBondContact O-N 2.72Å; I662-A665 PolarHBondContact O-N 2.66Å; L663-A665 PolarHBondContact O-N 2.74Å; A665-S667 PolarHBondContact O-N 2.75Å; A665-T670 HydrophobicContact CB-CG2 4.37Å; A665-T670 WeakPolarHBondContact O-CB 3.26Å; A665-T670 WeakPolarHBondContact O-CG2 3.34Å; A665-A671 HydrophobicContact CB-CB 3.75Å; A665-I674 HydrophobicContact CB-CD1 4.45Å
666G89.6Confident90.9Very high26 Ų2629.6 Ų29.627%0.26817%0.17SC..SBendtrans72.7-33.4-179.900000115.7I662 L663 V695I662-G666 PolarHBondContact O-N 3.24Å; L663-G666 PolarHBondContact O-N 2.98Å; G666-V695 WeakPolarHBondContact O-CG1 3.42Å
667S91.3Very high90.6Very high21 Ų2134.1 Ų34.115%0.14719%0.194CC..BIsolated β-bridgetrans-146.3158.4173.377.20000112.2A665 E669 T670 A671A665-S667 PolarHBondContact O-N 2.75Å; S667-E669 VanDerWaalsContact C-N 3.29Å; S667-E669 PolarHBondContact O-N 3.24Å; S667-T670 PolarHBondContact O-N 3.38Å; S667-T670 WeakPolarHBondContact OG-CB 3.47Å; S667-T670 PolarHBondContact OG-N 2.91Å; S667-T670 PolarHBondContact OG-OG1 2.63Å; S667-T670 VanDerWaalsContact OG-OG1 3.07Å; S667-A671 PolarHBondContact O-N 3.31Å
668L91.7Very high90.2Very high7 Ų736.9 Ų36.94%0.03721%0.205CC..Hα-helixtrans-62.9-38.1173.2177.960.3000111.7A671 Y672 I685 E687 A690 S696 L697L668-A671 WeakPolarHBondContact O-CB 3.46Å; L668-A671 PolarHBondContact O-N 2.79Å; L668-Y672 HydrophobicContact CD1-CD2 4.13Å; L668-Y672 HydrophobicContact CD1-CE1 4.49Å; L668-Y672 HydrophobicContact CD1-CE2 3.65Å; L668-Y672 HydrophobicContact CD2-CE2 4Å; L668-Y672 HydrophobicContact CG-CD2 3.98Å; L668-Y672 HydrophobicContact CG-CE2 3.61Å; L668-Y672 WeakPolarHBondContact O-CD2 3.19Å; L668-Y672 PolarHBondContact O-N 3.48Å; L668-I685 HydrophobicContact CD1-CG2 3.9Å; L668-E687 HydrophobicContact CD2-CB 4.37Å; L668-E687 HydrophobicContact CD2-CG 3.85Å; L668-A690 HydrophobicContact CB-CB 4.03Å; L668-A690 HydrophobicContact CD1-CB 4.23Å; L668-A690 HydrophobicContact CD2-CB 4.06Å; L668-A690 HydrophobicContact CG-CB 4.34Å; L668-S696 PolarHBondContact N-O 3.24Å; L668-S696 VanDerWaalsContact N-O 3.12Å; L668-L697 HydrophobicContact CD2-CD2 3.82Å
669E89.3Confident90.1Very high29 Ų2936.9 Ų36.914%0.13620%0.203CC..Hα-helixtrans-63.8-42.7177.1-164.8-144.1-167.500111.5S667 A671 Y672 K673 S698 L699S667-E669 VanDerWaalsContact C-N 3.29Å; S667-E669 PolarHBondContact O-N 3.24Å; E669-A671 VanDerWaalsContact C-N 3.35Å; E669-A671 PolarHBondContact O-N 3.46Å; E669-Y672 PolarHBondContact O-N 2.78Å; E669-K673 HydrophobicContact CG-CD 4.41Å; E669-K673 WeakPolarHBondContact O-CG 3.46Å; E669-K673 PolarHBondContact O-N 2.74Å; E669-K673 WeakPolarHBondContact OE1-CE 3.24Å; E669-K673 IonicContact OE1-NZ 2.66Å; E669-K673 PolarHBondContact OE1-NZ 3.06Å; E669-K673 WeakPolarHBondContact OE2-CE 3.3Å; E669-K673 IonicContact OE2-NZ 3.61Å; E669-K673 PolarHBondContact OE2-NZ 2.86Å; E669-S698 WeakPolarHBondContact CB-O 3.14Å; E669-L699 HydrophobicContact CG-CD1 4.22Å
670T89Confident90Very high38 Ų3835.4 Ų35.423%0.23319%0.193CC..Hα-helixtrans-65.7-36.9174.2-64.10000111.5A665 S667 Y672 K673 I674A665-T670 HydrophobicContact CB-CG2 4.37Å; A665-T670 WeakPolarHBondContact O-CB 3.26Å; A665-T670 WeakPolarHBondContact O-CG2 3.34Å; S667-T670 PolarHBondContact O-N 3.38Å; S667-T670 WeakPolarHBondContact OG-CB 3.47Å; S667-T670 PolarHBondContact OG-N 2.91Å; S667-T670 PolarHBondContact OG-OG1 2.63Å; S667-T670 VanDerWaalsContact OG-OG1 3.07Å; T670-Y672 VanDerWaalsContact C-N 3.34Å; T670-Y672 PolarHBondContact O-N 3.34Å; T670-K673 PolarHBondContact O-N 3.01Å; T670-I674 HydrophobicContact CG2-CD1 3.78Å; T670-I674 HydrophobicContact CG2-CG1 4.31Å; T670-I674 WeakPolarHBondContact O-CB 3.12Å; T670-I674 VanDerWaalsContact O-CG1 3.27Å; T670-I674 WeakPolarHBondContact O-CG1 3.38Å; T670-I674 PolarHBondContact O-N 3.38Å
671A91.9Very high89.7Confident0 Ų038.4 Ų38.40%021%0.212CC..Hα-helixtrans-60.7-42.1172.300000111.8I662 A665 S667 L668 E669 I674 F675 I685I662-A671 HydrophobicContact CG1-CB 4.42Å; A665-A671 HydrophobicContact CB-CB 3.75Å; S667-A671 PolarHBondContact O-N 3.31Å; L668-A671 WeakPolarHBondContact O-CB 3.46Å; L668-A671 PolarHBondContact O-N 2.79Å; E669-A671 VanDerWaalsContact C-N 3.35Å; E669-A671 PolarHBondContact O-N 3.46Å; A671-I674 PolarHBondContact O-N 3.14Å; A671-F675 WeakPolarHBondContact O-CD2 3.5Å; A671-F675 PolarHBondContact O-N 3.29Å; A671-I685 HydrophobicContact CB-CG2 4.05Å
672Y92.5Very high89.4Confident56 Ų5641.5 Ų41.522%0.2223%0.226CC..Hα-helixtrans-68.2-39.9173.9-72.6-44.2000113.1L668 E669 T670 I674 G676 L677 A680 I685 N686L668-Y672 HydrophobicContact CD1-CD2 4.13Å; L668-Y672 HydrophobicContact CD1-CE1 4.49Å; L668-Y672 HydrophobicContact CD1-CE2 3.65Å; L668-Y672 HydrophobicContact CD2-CE2 4Å; L668-Y672 HydrophobicContact CG-CD2 3.98Å; L668-Y672 HydrophobicContact CG-CE2 3.61Å; L668-Y672 WeakPolarHBondContact O-CD2 3.19Å; L668-Y672 PolarHBondContact O-N 3.48Å; E669-Y672 PolarHBondContact O-N 2.78Å; T670-Y672 VanDerWaalsContact C-N 3.34Å; T670-Y672 PolarHBondContact O-N 3.34Å; Y672-I674 VanDerWaalsContact C-N 3.33Å; Y672-I674 PolarHBondContact O-N 2.94Å; Y672-G676 WeakPolarHBondContact O-CA 3.46Å; Y672-G676 PolarHBondContact O-N 3.39Å; Y672-L677 HydrophobicContact CD1-CD1 4.03Å; Y672-L677 HydrophobicContact CE1-CD1 3.83Å; Y672-A680 HydrophobicContact CD1-CB 3.44Å; Y672-A680 VanDerWaalsContact CD1-CB 3.44Å; Y672-A680 HydrophobicContact CE1-CB 3.47Å; Y672-A680 VanDerWaalsContact CE1-CB 3.47Å; Y672-I685 HydrophobicContact CE1-CG2 4.3Å; Y672-I685 PolarHBondContact OH-O 3.46Å; Y672-N686 WeakPolarHBondContact OH-CA 3.46Å
673K90.7Very high89.2Confident131 Ų13142.1 Ų42.157%0.5723%0.229SC*.Hα-helixtrans-61.3-39.9173.9-74.9169.3174.4168.50111.9E669 T670E669-K673 HydrophobicContact CG-CD 4.41Å; E669-K673 WeakPolarHBondContact O-CG 3.46Å; E669-K673 PolarHBondContact O-N 2.74Å; E669-K673 WeakPolarHBondContact OE1-CE 3.24Å; E669-K673 IonicContact OE1-NZ 2.66Å; E669-K673 PolarHBondContact OE1-NZ 3.06Å; E669-K673 WeakPolarHBondContact OE2-CE 3.3Å; E669-K673 IonicContact OE2-NZ 3.61Å; E669-K673 PolarHBondContact OE2-NZ 2.86Å; T670-K673 PolarHBondContact O-N 3.01Å
674I90.5Very high89.1Confident31 Ų3138.4 Ų38.416%0.15921%0.21CC..Hα-helixtrans-70.5-63.2177.3-68.1167.3000110.6L568 K572 A665 T670 A671 Y672L568-I674 HydrophobicContact CB-CD1 4.24Å; L568-I674 HydrophobicContact CB-CG2 3.88Å; L568-I674 HydrophobicContact CD1-CD1 4.17Å; K572-I674 WeakPolarHBondContact CD-O 3.44Å; K572-I674 WeakPolarHBondContact CE-O 3.28Å; K572-I674 PolarHBondContact NZ-O 3.24Å; A665-I674 HydrophobicContact CB-CD1 4.45Å; T670-I674 HydrophobicContact CG2-CD1 3.78Å; T670-I674 HydrophobicContact CG2-CG1 4.31Å; T670-I674 WeakPolarHBondContact O-CB 3.12Å; T670-I674 VanDerWaalsContact O-CG1 3.27Å; T670-I674 WeakPolarHBondContact O-CG1 3.38Å; T670-I674 PolarHBondContact O-N 3.38Å; A671-I674 PolarHBondContact O-N 3.14Å; Y672-I674 VanDerWaalsContact C-N 3.33Å; Y672-I674 PolarHBondContact O-N 2.94Å
675F91Very high88.9Confident3 Ų338.3 Ų38.31%0.01321%0.21CC..Hα-helixtrans-79-32.3-170-70.3-71.3000113.6L568 I571 K572 L661 A671 L679 A680 L683 I685L568-F675 HydrophobicContact CB-CE2 4.44Å; L568-F675 HydrophobicContact CB-CZ 4.12Å; L568-F675 HydrophobicContact CD1-CE2 4.3Å; L568-F675 HydrophobicContact CD2-CZ 4.27Å; I571-F675 HydrophobicContact CB-CE1 4.48Å; I571-F675 HydrophobicContact CG2-CE1 4.13Å; I571-F675 HydrophobicContact CG2-CZ 4.5Å; K572-F675 HydrophobicContact CB-CD1 3.86Å; K572-F675 HydrophobicContact CB-CE1 4.1Å; K572-F675 HydrophobicContact CG-CD1 4.32Å; L661-F675 HydrophobicContact CD2-CZ 4.36Å; A671-F675 WeakPolarHBondContact O-CD2 3.5Å; A671-F675 PolarHBondContact O-N 3.29Å; F675-L679 HydrophobicContact CB-CB 4.15Å; F675-L679 WeakPolarHBondContact O-CB 3.42Å; F675-A680 HydrophobicContact CB-CB 4.45Å; F675-L683 HydrophobicContact CD1-CD1 3.9Å; F675-L683 HydrophobicContact CE1-CD1 4.06Å; F675-L683 HydrophobicContact CG-CD1 4.29Å; F675-I685 HydrophobicContact CD2-CD1 3.82Å; F675-I685 HydrophobicContact CE2-CD1 3.99Å
676G89.1Confident88.8Confident28 Ų2841 Ų4129%0.28922%0.224SC..  trans80.4145.3-165.300000111.7Y672 N678 L679 A680Y672-G676 WeakPolarHBondContact O-CA 3.46Å; Y672-G676 PolarHBondContact O-N 3.39Å; G676-N678 VanDerWaalsContact C-N 3.34Å; G676-N678 PolarHBondContact O-N 2.91Å; G676-L679 PolarHBondContact O-N 3.24Å; G676-A680 PolarHBondContact O-N 3.07Å
677L83.3Confident88.9Confident109 Ų10944.8 Ų44.857%0.57124%0.235SC*.Hα-helixtrans-50.2-48.9-170.2-164.670.5000113.1Y672 L679 A680 T681Y672-L677 HydrophobicContact CD1-CD1 4.03Å; Y672-L677 HydrophobicContact CE1-CD1 3.83Å; L677-L679 VanDerWaalsContact C-N 3.3Å; L677-L679 PolarHBondContact O-N 3.16Å; L677-A680 PolarHBondContact O-N 3.38Å; L677-T681 PolarHBondContact O-N 3.02Å; L677-T681 PolarHBondContact O-OG1 3.08Å; L677-T681 VanDerWaalsContact O-OG1 3.05Å
678N84.1Confident88.7Confident138 Ų13848.8 Ų48.874%0.73825%0.254SS*.Hα-helixtrans-60.8-32.3-178.7-67.7-15.6000114.4G676 K682G676-N678 VanDerWaalsContact C-N 3.34Å; G676-N678 PolarHBondContact O-N 2.91Å; N678-K682 WeakPolarHBondContact O-CG 3.35Å
679L86.4Confident88.6Confident14 Ų1449.7 Ų49.77%0.07326%0.26CS..Hα-helixtrans-84-41.4176.4-93.2167.4000111.3K572 I575 Q576 L579 F675 G676 L677 T681 K682 L683K572-L679 HydrophobicContact CG-CD1 4.02Å; I575-L679 HydrophobicContact CB-CD2 4.38Å; I575-L679 HydrophobicContact CG2-CD2 3.6Å; Q576-L679 HydrophobicContact CG-CD1 3.63Å; L579-L679 HydrophobicContact CD1-CD2 3.84Å; F675-L679 HydrophobicContact CB-CB 4.15Å; F675-L679 WeakPolarHBondContact O-CB 3.42Å; G676-L679 PolarHBondContact O-N 3.24Å; L677-L679 VanDerWaalsContact C-N 3.3Å; L677-L679 PolarHBondContact O-N 3.16Å; L679-T681 VanDerWaalsContact C-N 3.32Å; L679-T681 PolarHBondContact O-N 2.82Å; L679-K682 CarbonylContact O-C 3.47Å; L679-K682 PolarHBondContact O-N 3.11Å; L679-K682 VanDerWaalsContact O-N 3.11Å; L679-L683 WeakPolarHBondContact O-CB 3.24Å; L679-L683 WeakPolarHBondContact O-CG 3.38Å; L679-L683 PolarHBondContact O-N 3.28Å
680A88.8Confident88.5Confident0 Ų048.3 Ų48.30%025%0.254CS..Hα-helixtrans-56.1-46.6175.300000111.4Y672 F675 G676 L677 K682 L683 G684 I685Y672-A680 HydrophobicContact CD1-CB 3.44Å; Y672-A680 VanDerWaalsContact CD1-CB 3.44Å; Y672-A680 HydrophobicContact CE1-CB 3.47Å; Y672-A680 VanDerWaalsContact CE1-CB 3.47Å; F675-A680 HydrophobicContact CB-CB 4.45Å; G676-A680 PolarHBondContact O-N 3.07Å; L677-A680 PolarHBondContact O-N 3.38Å; A680-K682 PolarHBondContact O-N 3.18Å; A680-L683 CarbonylContact O-C 3.56Å; A680-L683 PolarHBondContact O-N 2.91Å; A680-L683 VanDerWaalsContact O-N 3.09Å; A680-G684 PolarHBondContact O-N 3.2Å; A680-G684 VanDerWaalsContact O-N 3.13Å; A680-I685 HydrophobicContact CB-CB 3.89Å; A680-I685 HydrophobicContact CB-CG2 3.94Å; A680-I685 WeakPolarHBondContact O-CB 3.49Å; A680-I685 PolarHBondContact O-N 3.06Å
681T85.7Confident88.4Confident91 Ų9151.5 Ų51.556%0.55827%0.265SS*.Hα-helixtrans-58.5-44173.8-55.40000112.4L677 L679 L683 G684L677-T681 PolarHBondContact O-N 3.02Å; L677-T681 PolarHBondContact O-OG1 3.08Å; L677-T681 VanDerWaalsContact O-OG1 3.05Å; L679-T681 VanDerWaalsContact C-N 3.32Å; L679-T681 PolarHBondContact O-N 2.82Å; T681-L683 PolarHBondContact O-N 3.37Å; T681-G684 PolarHBondContact O-N 2.98Å
682K85.7Confident88.1Confident65 Ų6558.4 Ų58.428%0.28330%0.301SS..Hα-helixtrans-68.5-18.9176.7-74.7-177.1178.5-174.80114M613 I614 N678 L679 A680M613-K682 CarbonylContact C-O 3.58Å; M613-K682 VanDerWaalsContact CA-O 3.32Å; M613-K682 WeakPolarHBondContact CA-O 3.49Å; I614-K682 HydrophobicContact CD1-CB 3.96Å; I614-K682 HydrophobicContact CD1-CD 4.17Å; I614-K682 HydrophobicContact CG1-CB 4.23Å; I614-K682 PolarHBondContact N-O 2.97Å; N678-K682 WeakPolarHBondContact O-CG 3.35Å; L679-K682 CarbonylContact O-C 3.47Å; L679-K682 PolarHBondContact O-N 3.11Å; L679-K682 VanDerWaalsContact O-N 3.11Å; A680-K682 PolarHBondContact O-N 3.18Å
683L87.1Confident87.7Confident13 Ų1356.6 Ų56.67%0.06830%0.298CS..THydrogen-bonded Turntrans-97.85175.2-67172.1000113.2I575 I614 L616 A658 L661 F675 L679 A680 T681 I685I575-L683 HydrophobicContact CD1-CD1 4.15Å; I575-L683 HydrophobicContact CD1-CD2 4.25Å; I614-L683 HydrophobicContact CB-CD2 4.1Å; I614-L683 HydrophobicContact CG2-CD2 4.42Å; L616-L683 HydrophobicContact CD1-CD2 3.58Å; L616-L683 HydrophobicContact CG-CD2 3.91Å; A658-L683 WeakPolarHBondContact CB-O 3.4Å; L661-L683 HydrophobicContact CD1-CD1 4.38Å; F675-L683 HydrophobicContact CD1-CD1 3.9Å; F675-L683 HydrophobicContact CE1-CD1 4.06Å; F675-L683 HydrophobicContact CG-CD1 4.29Å; L679-L683 WeakPolarHBondContact O-CB 3.24Å; L679-L683 WeakPolarHBondContact O-CG 3.38Å; L679-L683 PolarHBondContact O-N 3.28Å; A680-L683 CarbonylContact O-C 3.56Å; A680-L683 PolarHBondContact O-N 2.91Å; A680-L683 VanDerWaalsContact O-N 3.09Å; T681-L683 PolarHBondContact O-N 3.37Å; L683-I685 HydrophobicContact CB-CD1 4.16Å; L683-I685 HydrophobicContact CB-CG1 4.22Å; L683-I685 HydrophobicContact CD1-CD1 4.46Å; L683-I685 PolarHBondContact O-N 3.47Å
684G88.2Confident87.5Confident4 Ų453.6 Ų53.64%0.04130%0.304CS..THydrogen-bonded Turntrans70.215.1-177.300000114.5A658 A680 T681 N686 T689A658-G684 WeakPolarHBondContact CB-O 3.25Å; A680-G684 PolarHBondContact O-N 3.2Å; A680-G684 VanDerWaalsContact O-N 3.13Å; T681-G684 PolarHBondContact O-N 2.98Å; G684-N686 PolarHBondContact O-N 3.14Å; G684-N686 PolarHBondContact O-ND2 3.03Å; G684-T689 WeakPolarHBondContact O-CG2 3.38Å; G684-T689 PolarHBondContact O-OG1 3.37Å
685I89.6Confident87Confident1 Ų152.9 Ų52.91%0.00530%0.301CS..  trans-79109.2177-66.5172.9000109A658 L661 I662 L668 A671 Y672 F675 A680 L683A658-I685 HydrophobicContact CB-CG1 4.19Å; L661-I685 HydrophobicContact CB-CD1 3.97Å; L661-I685 HydrophobicContact CD1-CD1 4.15Å; I662-I685 HydrophobicContact CD1-CB 4.35Å; I662-I685 HydrophobicContact CD1-CG1 4.33Å; I662-I685 HydrophobicContact CD1-CG2 3.96Å; I662-I685 HydrophobicContact CG1-CB 4.4Å; I662-I685 HydrophobicContact CG1-CG1 4.12Å; I662-I685 HydrophobicContact CG1-CG2 3.79Å; L668-I685 HydrophobicContact CD1-CG2 3.9Å; A671-I685 HydrophobicContact CB-CG2 4.05Å; Y672-I685 HydrophobicContact CE1-CG2 4.3Å; Y672-I685 PolarHBondContact OH-O 3.46Å; F675-I685 HydrophobicContact CD2-CD1 3.82Å; F675-I685 HydrophobicContact CE2-CD1 3.99Å; A680-I685 HydrophobicContact CB-CB 3.89Å; A680-I685 HydrophobicContact CB-CG2 3.94Å; A680-I685 WeakPolarHBondContact O-CB 3.49Å; A680-I685 PolarHBondContact O-N 3.06Å; L683-I685 HydrophobicContact CB-CD1 4.16Å; L683-I685 HydrophobicContact CB-CG1 4.22Å; L683-I685 HydrophobicContact CD1-CD1 4.46Å; L683-I685 PolarHBondContact O-N 3.47Å
686N90.6Very high86.6Confident57 Ų5756.4 Ų56.431%0.30533%0.326SS..SBendtrans-152.6175.8179.961.359.8000111.1Y672 G684 N688 T689 A690Y672-N686 WeakPolarHBondContact OH-CA 3.46Å; G684-N686 PolarHBondContact O-N 3.14Å; G684-N686 PolarHBondContact O-ND2 3.03Å; N686-N688 PolarHBondContact O-N 3.47Å; N686-N688 WeakPolarHBondContact OD1-CA 3.39Å; N686-N688 WeakPolarHBondContact OD1-CB 3.49Å; N686-N688 PolarHBondContact OD1-N 3.43Å; N686-T689 PolarHBondContact N-OG1 3.12Å; N686-T689 PolarHBondContact O-N 3.37Å; N686-T689 PolarHBondContact O-OG1 2.79Å; N686-T689 VanDerWaalsContact O-OG1 3.09Å; N686-T689 PolarHBondContact OD1-N 3.18Å; N686-T689 PolarHBondContact OD1-OG1 3.35Å; N686-A690 PolarHBondContact O-N 3.25Å
687E89.9Confident86Confident105 Ų10558.2 Ų58.249%0.49133%0.329SS..Hα-helixtrans-53.7-36.7177.5-73.6-174.4-142.300114.1L668 A690 K691 L697L668-E687 HydrophobicContact CD2-CB 4.37Å; L668-E687 HydrophobicContact CD2-CG 3.85Å; E687-A690 PolarHBondContact O-N 3.06Å; E687-K691 WeakPolarHBondContact O-CB 3.39Å; E687-K691 WeakPolarHBondContact O-CD 3.39Å; E687-K691 WeakPolarHBondContact O-CG 3.48Å; E687-K691 PolarHBondContact O-N 3.21Å; E687-K691 IonicContact OE2-NZ 2.68Å; E687-K691 PolarHBondContact OE2-NZ 3.15Å; E687-L697 HydrophobicContact CB-CD2 4.45Å; E687-L697 HydrophobicContact CG-CD2 4.46Å
688N88.4Confident84.8Confident104 Ų10456.5 Ų56.556%0.55633%0.326SS*.Hα-helixtrans-73.7-38.9-176.8-61.5-23.3000110.7N686 A690 K691 L692N686-N688 PolarHBondContact O-N 3.47Å; N686-N688 WeakPolarHBondContact OD1-CA 3.39Å; N686-N688 WeakPolarHBondContact OD1-CB 3.49Å; N686-N688 PolarHBondContact OD1-N 3.43Å; N688-A690 VanDerWaalsContact C-N 3.33Å; N688-K691 PolarHBondContact O-N 3.32Å; N688-L692 WeakPolarHBondContact O-CB 3.49Å; N688-L692 VanDerWaalsContact O-CG 3.22Å; N688-L692 WeakPolarHBondContact O-CG 3.42Å; N688-L692 PolarHBondContact O-N 3.31Å
689T88Confident83.2Confident26 Ų2656 Ų5616%0.1632%0.322CS..Hα-helixtrans-71-26.1172.239.70000113.1A658 S659 G684 N686 A693A658-T689 HydrophobicContact CB-CG2 3.88Å; S659-T689 PolarHBondContact OG-O 2.8Å; G684-T689 WeakPolarHBondContact O-CG2 3.38Å; G684-T689 PolarHBondContact O-OG1 3.37Å; N686-T689 PolarHBondContact N-OG1 3.12Å; N686-T689 PolarHBondContact O-N 3.37Å; N686-T689 PolarHBondContact O-OG1 2.79Å; N686-T689 VanDerWaalsContact O-OG1 3.09Å; N686-T689 PolarHBondContact OD1-N 3.18Å; N686-T689 PolarHBondContact OD1-OG1 3.35Å; T689-A693 WeakPolarHBondContact O-CB 3.39Å; T689-A693 PolarHBondContact O-N 2.94Å; T689-A693 VanDerWaalsContact O-N 3.11Å
690A89Confident80.7Confident0 Ų061.7 Ų61.70%035%0.353CS..Hα-helixtrans-73-44.4169.900000112.8I662 L668 N686 E687 N688 A693 G694 V695 L697I662-A690 HydrophobicContact CD1-CB 4.2Å; I662-A690 HydrophobicContact CG2-CB 4Å; L668-A690 HydrophobicContact CB-CB 4.03Å; L668-A690 HydrophobicContact CD1-CB 4.23Å; L668-A690 HydrophobicContact CD2-CB 4.06Å; L668-A690 HydrophobicContact CG-CB 4.34Å; N686-A690 PolarHBondContact O-N 3.25Å; E687-A690 PolarHBondContact O-N 3.06Å; N688-A690 VanDerWaalsContact C-N 3.33Å; A690-A693 CarbonylContact O-C 3.52Å; A690-A693 WeakPolarHBondContact O-CB 3.48Å; A690-A693 PolarHBondContact O-N 3.12Å; A690-A693 VanDerWaalsContact O-N 3.1Å; A690-G694 PolarHBondContact O-N 3.47Å; A690-V695 PolarHBondContact O-N 2.74Å; A690-L697 HydrophobicContact CB-CD2 3.62Å
691K85.6Confident78Confident105 Ų10564.8 Ų64.846%0.45739%0.385SS..Hα-helixtrans-58.5-47.1173.3-73160.1-167.1166.10110.9E687 N688 A693 G694 L697E687-K691 WeakPolarHBondContact O-CB 3.39Å; E687-K691 WeakPolarHBondContact O-CD 3.39Å; E687-K691 WeakPolarHBondContact O-CG 3.48Å; E687-K691 PolarHBondContact O-N 3.21Å; E687-K691 IonicContact OE2-NZ 2.68Å; E687-K691 PolarHBondContact OE2-NZ 3.15Å; N688-K691 PolarHBondContact O-N 3.32Å; K691-A693 VanDerWaalsContact C-N 3.26Å; K691-A693 PolarHBondContact O-N 3.18Å; K691-G694 PolarHBondContact O-N 3.15Å; K691-G694 VanDerWaalsContact O-N 3.12Å; K691-L697 HydrophobicContact CD-CD1 4.29Å; K691-L697 VanDerWaalsContact CE-CD1 3.41Å; K691-L697 HydrophobicContact CG-CD1 3.87Å; K691-L697 HydrophobicContact CG-CD2 4.32Å
692L85.5Confident75.2Confident145 Ų14567.9 Ų67.976%0.75940%0.397SS*.Hα-helixtrans-63.3-28.8174.4-73.1168.8000113.4N688N688-L692 WeakPolarHBondContact O-CB 3.49Å; N688-L692 VanDerWaalsContact O-CG 3.22Å; N688-L692 WeakPolarHBondContact O-CG 3.42Å; N688-L692 PolarHBondContact O-N 3.31Å
693A85Confident72.5Confident19 Ų1972.7 Ų72.716%0.15742%0.42CS..Hα-helixtrans-83.1-9.2175.900000113.8L663 T689 A690 K691 V695L663-A693 HydrophobicContact CD1-CB 4.36Å; L663-A693 HydrophobicContact CG-CB 4.14Å; T689-A693 WeakPolarHBondContact O-CB 3.39Å; T689-A693 PolarHBondContact O-N 2.94Å; T689-A693 VanDerWaalsContact O-N 3.11Å; A690-A693 CarbonylContact O-C 3.52Å; A690-A693 WeakPolarHBondContact O-CB 3.48Å; A690-A693 PolarHBondContact O-N 3.12Å; A690-A693 VanDerWaalsContact O-N 3.1Å; K691-A693 VanDerWaalsContact C-N 3.26Å; K691-A693 PolarHBondContact O-N 3.18Å; A693-V695 VanDerWaalsContact C-N 3.3Å; A693-V695 HydrophobicContact CB-CB 4.45Å; A693-V695 HydrophobicContact CB-CG2 3.89Å
694G85.1Confident69.6Low68 Ų6880.7 Ų80.770%0.70146%0.458SS*.THydrogen-bonded Turntrans7121.8-174.800000114.4A690 K691A690-G694 PolarHBondContact O-N 3.47Å; K691-G694 PolarHBondContact O-N 3.15Å; K691-G694 VanDerWaalsContact O-N 3.12Å
695V81.4Confident66.7Low16 Ų1685.7 Ų85.710%0.09749%0.488CS..  trans-99.1143.7-171.7174.50000111.9I662 L663 G666 A690 A693 L697I662-V695 HydrophobicContact CG2-CB 3.77Å; I662-V695 HydrophobicContact CG2-CG1 3.63Å; I662-V695 HydrophobicContact CG2-CG2 4.05Å; L663-V695 HydrophobicContact CD2-CG2 3.6Å; L663-V695 HydrophobicContact CG-CG2 3.89Å; G666-V695 WeakPolarHBondContact O-CG1 3.42Å; A690-V695 PolarHBondContact O-N 2.74Å; A693-V695 VanDerWaalsContact C-N 3.3Å; A693-V695 HydrophobicContact CB-CB 4.45Å; A693-V695 HydrophobicContact CB-CG2 3.89Å; V695-L697 PolarHBondContact O-N 3.01Å
696S81.9Confident63.8Low77 Ų7792 Ų9254%0.53853%0.526SS..BIsolated β-bridgetrans-57.9132.9-178-63.60000113.3L668L668-S696 PolarHBondContact N-O 3.24Å; L668-S696 VanDerWaalsContact N-O 3.12Å
697L75.9Confident60.7Low66 Ų6696 Ų9635%0.34655%0.553SS.*  trans-94-9.1-178.2-61.4174.4000114.4L668 E687 A690 K691 V695 L699L668-L697 HydrophobicContact CD2-CD2 3.82Å; E687-L697 HydrophobicContact CB-CD2 4.45Å; E687-L697 HydrophobicContact CG-CD2 4.46Å; A690-L697 HydrophobicContact CB-CD2 3.62Å; K691-L697 HydrophobicContact CD-CD1 4.29Å; K691-L697 VanDerWaalsContact CE-CD1 3.41Å; K691-L697 HydrophobicContact CG-CD1 3.87Å; K691-L697 HydrophobicContact CG-CD2 4.32Å; V695-L697 PolarHBondContact O-N 3.01Å; L697-L699 PolarHBondContact O-N 3.38Å
698S58.7Low57.7Low72 Ų72101 Ų10150%0.50357%0.567SS.*  trans-48.1120.1-171.5-97.60000112.9E669 D700E669-S698 WeakPolarHBondContact CB-O 3.14Å; S698-D700 WeakPolarHBondContact CB-OD2 3.3Å; S698-D700 PolarHBondContact OG-OD2 2.93Å
699L51.5Low55Low128 Ų128102.7 Ų102.767%0.6757%0.572SS**  trans-107.538.1178.3-160.880000109.7E669 L697 G701E669-L699 HydrophobicContact CG-CD1 4.22Å; L697-L699 PolarHBondContact O-N 3.38Å; L699-G701 PolarHBondContact O-N 3.37Å; L699-G701 VanDerWaalsContact O-N 3.17Å
700D34Very low52.2Low133 Ų133108.2 Ų108.271%0.71160%0.6SS**THydrogen-bonded Turntrans-84.689.6-168.1-66.9-64.8000111.4S698S698-D700 WeakPolarHBondContact CB-OD2 3.3Å; S698-D700 PolarHBondContact OG-OD2 2.93Å
701G31.4Very low49.4Very low65 Ų65114.4 Ų114.467%0.6763%0.633SS**THydrogen-bonded Turntrans129.439.7163.100000118.2L699L699-G701 PolarHBondContact O-N 3.37Å; L699-G701 VanDerWaalsContact O-N 3.17Å
702L26.7Very low46.8Very low156 Ų156117 Ų11782%0.81765%0.647SS**  trans-10373.3156.4-99.4171.5000110.8
703Q28.4Very low44.1Very low166 Ų166116.9 Ų116.978%0.77665%0.647SS**  trans-81.1118.1164.8-167.2171.938.900108.3T705Q703-T705 HydrophobicContact CG-CG2 4.3Å; Q703-T705 PolarHBondContact O-N 2.85Å
704E27Very low41.4Very low182 Ų182121.3 Ų121.385%0.8567%0.672SS**  trans-67.4103.1172.3-69.1-171.7125.600109.8
705T27.4Very low38.6Very low109 Ų109125.6 Ų125.667%0.66967%0.674SS**  trans-106.773.5169.362.40000110.1Q703 T707Q703-T705 HydrophobicContact CG-CG2 4.3Å; Q703-T705 PolarHBondContact O-N 2.85Å; T705-T707 PolarHBondContact O-N 3.23Å
706T28.6Very low36.1Very low132 Ų132130.6 Ų130.681%0.8170%0.7SS**  trans-57.6126.5157.837.90000108.5R708T706-R708 PolarHBondContact O-N 2.97Å
707T25.2Very low33.5Very low142 Ų142133 Ų13387%0.87171%0.706SS**  trans-75.296.7-17249.90000111.7T705T705-T707 PolarHBondContact O-N 3.23Å
708R28Very low31.4Very low210 Ų210136.8 Ų136.879%0.79273%0.726SS**  trans-153.7110.8155.8-140.5168.6-179147.19.4116.7T706T706-R708 PolarHBondContact O-N 2.97Å
709E31.6Very low30Very low139 Ų139137.2 Ų137.265%0.6573%0.729SS**  trans44.398.5138.6-54.8177111.600120
710N28.5Very low29.1Very low142 Ų142138.6 Ų138.676%0.75974%0.737SS**  trans64118.9133-63-15.6000122.7
711N29.1Very low29Very low130 Ų130135.7 Ų135.770%0.69574%0.739SS**  trans83.1114.7132.3-68.9-11.9000122.2
712Q32.8Very low28.8Very low161 Ų161139.8 Ų139.875%0.75275%0.745SS**  77.297.2129.2-66.2-178.4-6.600120
713N28.8Very low29.1Very low141 Ų141141.7 Ų141.775%0.75475%0.749SS**  75.7113117.3-70.412.8000121.3
714V27.1Very low29.2Very low112 Ų112137.6 Ų137.668%0.67975%0.752SS**  94.5120.6117.2168.90000118.9
715E26.1Very low29.3Very low158 Ų158136.6 Ų136.674%0.73875%0.752SS**  trans89.4136.6146.9-94167.4-129.200124
716N29.4Very low29.2Very low121 Ų121139 Ų13965%0.64776%0.759SS**  trans83.1139.1147.9-61.3-27000121.3
717I28.2Very low29.1Very low128 Ų128138.4 Ų138.466%0.65676%0.756SS**  cis-169.4162.7-29.3-127.4176.3000109.3
718N30.3Very low29.1Very low146 Ų146138.6 Ų138.678%0.78176%0.756SS**  trans67.1153.5170.3-69-14.7000119.2
719S29.9Very low29Very low81 Ų81133.7 Ų133.757%0.56675%0.754SS**  cis-163.9166-24.958.50000111.3
720D33.2Very low28.9Very low157 Ų157131.7 Ų131.784%0.8476%0.762SS**  trans65.7131.1159.2-44-49000119.7
721G32.2Very low28.6Very low72 Ų72133 Ų13374%0.74276%0.763SS**  cis-172.7173.7-2.400000114.4
722D27.2Very low28.4Very low151 Ų151133.6 Ų133.681%0.80777%0.766SS**  trans51.5107.9171-73.6-5.8000121.6
723H32.8Very low28.2Very low195 Ų195132.6 Ų132.690%0.90377%0.771SS**  -167.5141.9102.8-86.5-42.4000110.9
724G30.8Very low28Very low81 Ų81131.9 Ų131.984%0.83577%0.771SS**  trans-109.3160.3-171.200000115.9
725L27.5Very low28.2Very low161 Ų161137 Ų13784%0.84378%0.778SS**  trans-96.6157.3173.9-67.887.8000112
726L25.6Very low28.2Very low158 Ų158139 Ų13983%0.82779%0.785SS**  174.2142.3107.8-89.4167.1000114.3
727V26.3Very low28.3Very low121 Ų121136.4 Ų136.473%0.73377%0.774SS**  trans54.7118.9148.1179.10000121.1
728V24.7Very low28.7Very low146 Ų146133.6 Ų133.689%0.88577%0.766SS**  -141147.8120.2179.10000108.2
729S26.3Very low29.1Very low107 Ų107131.9 Ų131.975%0.74876%0.763SS**  trans-94.2157.3177.9-169.90000112.6
730A29.2Very low29.7Very low97 Ų97131.9 Ų131.980%0.80276%0.76SS**  trans-143.1116.1170.500000111.6
731E22.7Very low30.2Very low168 Ų168126.9 Ų126.979%0.78574%0.74SS**  trans-82.5173.9170.2-61.1178.4130.500111.2
732N25.8Very low30.9Very low144 Ų144127.9 Ų127.977%0.7773%0.728SS**  trans62.866.3163.3-61-44.2000117.7
733V27.2Very low31.6Very low139 Ų139123.8 Ų123.884%0.84272%0.716SS**  trans-110.8104145-178.40000108.8R735V733-R735 PolarHBondContact O-N 3.28Å; V733-R735 VanDerWaalsContact O-N 3.13Å
734V25.2Very low32.4Very low127 Ų127120.2 Ų120.277%0.7770%0.702SS**  trans-67.2109.4177.7176.90000109.3K736V734-K736 PolarHBondContact O-N 3.05Å
735R31.7Very low33.7Very low218 Ų218118.2 Ų118.282%0.82368%0.682SS**  trans-64.9126.5167.2-65.3-174.9-179.7-159.5-0.9108.8V733 P737V733-R735 PolarHBondContact O-N 3.28Å; V733-R735 VanDerWaalsContact O-N 3.13Å; R735-P737 WeakPolarHBondContact O-CD 3.36Å
736K26.3Very low35Very low202 Ų202113.7 Ų113.788%0.87866%0.664SS**  trans-86.5107.7150.9-73.6-171.2175.3-173.50106.8V734V734-K736 PolarHBondContact O-N 3.05Å
737P31.9Very low36.2Very low65 Ų65108.3 Ų108.342%0.42264%0.642SS.*  trans-67.6157.617629.2-33.7000110.8R735 A741 D742R735-P737 WeakPolarHBondContact O-CD 3.36Å; P737-A741 HydrophobicContact CB-CB 4.31Å; P737-D742 VanDerWaalsContact CG-OD1 3.29Å; P737-D742 WeakPolarHBondContact CG-OD1 3.36Å
738S35.8Very low37.9Very low70 Ų70108.7 Ų108.749%0.4964%0.636SS.*  trans-63.3141.9165.2170.20000109.5T740 A741S738-T740 PolarHBondContact O-N 3.46Å; S738-A741 WeakPolarHBondContact O-CB 3.45Å; S738-A741 PolarHBondContact O-N 3.4Å
739P37.8Very low39.9Very low109 Ų109104.6 Ų104.671%0.70862%0.618SS**Hα-helixtrans-52.7-27.6177.9-27.835.5000114.3A741 A743P739-A741 VanDerWaalsContact C-N 3.32Å; P739-A741 PolarHBondContact O-N 3.22Å; P739-A743 PolarHBondContact O-N 3.1Å
740T43.8Very low41.7Very low82 Ų82104.8 Ų104.850%0.50361%0.609SS.*Hα-helixtrans-67.3-30177.1-42.30000112.9S738S738-T740 PolarHBondContact O-N 3.46Å
741A43.3Very low43.4Very low52 Ų52105.5 Ų105.543%0.4360%0.599SS.*Hα-helixtrans-77.3-41.8-179.400000112P737 S738 P739 A743 L744 G745P737-A741 HydrophobicContact CB-CB 4.31Å; S738-A741 WeakPolarHBondContact O-CB 3.45Å; S738-A741 PolarHBondContact O-N 3.4Å; P739-A741 VanDerWaalsContact C-N 3.32Å; P739-A741 PolarHBondContact O-N 3.22Å; A741-A743 VanDerWaalsContact C-N 3.26Å; A741-A743 PolarHBondContact O-N 2.86Å; A741-L744 PolarHBondContact O-N 2.92Å; A741-G745 PolarHBondContact O-N 2.78Å
742D46.1Very low45.5Very low92 Ų92102.5 Ų102.549%0.49259%0.588SS.*Hα-helixtrans-63.1-33.4176.5-82.1-5.8000112P737 S746P737-D742 VanDerWaalsContact CG-OD1 3.29Å; P737-D742 WeakPolarHBondContact CG-OD1 3.36Å; D742-S746 WeakPolarHBondContact O-CB 3.35Å; D742-S746 PolarHBondContact O-N 2.71Å; D742-S746 PolarHBondContact O-OG 2.74Å
743A42.9Very low47Very low65 Ų65102.9 Ų102.954%0.53758%0.579SS.*Hα-helixtrans-63.4-40.6175.600000112.8P739 A741 A747P739-A743 PolarHBondContact O-N 3.1Å; A741-A743 VanDerWaalsContact C-N 3.26Å; A741-A743 PolarHBondContact O-N 2.86Å; A743-A747 VanDerWaalsContact O-CB 3.32Å; A743-A747 WeakPolarHBondContact O-CB 3.39Å; A743-A747 PolarHBondContact O-N 3.31Å
744L48.6Very low48.5Very low120 Ų120102.8 Ų102.863%0.62856%0.563SS**Hα-helixtrans-75-48.3176.4-83.4161.8000111.7A741 S746 A747 E748A741-L744 PolarHBondContact O-N 2.92Å; L744-S746 VanDerWaalsContact C-N 3.33Å; L744-S746 PolarHBondContact O-N 3.44Å; L744-A747 WeakPolarHBondContact O-CB 3.1Å; L744-A747 PolarHBondContact O-N 3.31Å; L744-A747 VanDerWaalsContact O-N 3.11Å; L744-E748 PolarHBondContact O-N 3.33Å
745G58.1Low50.1Low40 Ų40104 Ų10441%0.41256%0.558SS.*Hα-helixtrans-60.4-39.9178.400000113A741 A749A741-G745 PolarHBondContact O-N 2.78Å; G745-A749 VanDerWaalsContact O-CB 3.27Å; G745-A749 WeakPolarHBondContact O-CB 3.1Å; G745-A749 PolarHBondContact O-N 3.24Å
746S55.4Low50.9Low65 Ų6599 Ų9946%0.45555%0.547SS..Hα-helixtrans-69.1-34.7175.2-58.60000112.5D742 L744 L750D742-S746 WeakPolarHBondContact O-CB 3.35Å; D742-S746 PolarHBondContact O-N 2.71Å; D742-S746 PolarHBondContact O-OG 2.74Å; L744-S746 VanDerWaalsContact C-N 3.33Å; L744-S746 PolarHBondContact O-N 3.44Å; S746-L750 WeakPolarHBondContact O-CB 3.19Å; S746-L750 VanDerWaalsContact O-CG 3.32Å; S746-L750 WeakPolarHBondContact O-CG 3.08Å; S746-L750 PolarHBondContact O-N 3Å
747A51.7Low51.7Low45 Ų4595.2 Ų95.237%0.37253%0.533SS..Hα-helixtrans-68.4-43.7175.600000111.7A743 L744 L750 L751A743-A747 VanDerWaalsContact O-CB 3.32Å; A743-A747 WeakPolarHBondContact O-CB 3.39Å; A743-A747 PolarHBondContact O-N 3.31Å; L744-A747 WeakPolarHBondContact O-CB 3.1Å; L744-A747 PolarHBondContact O-N 3.31Å; L744-A747 VanDerWaalsContact O-N 3.11Å; A747-L750 PolarHBondContact O-N 3.38Å; A747-L751 WeakPolarHBondContact O-CB 3.48Å; A747-L751 VanDerWaalsContact O-CG 3.3Å; A747-L751 WeakPolarHBondContact O-CG 3.3Å; A747-L751 PolarHBondContact O-N 3.28Å
748E61.5Low52.4Low130 Ų130100.7 Ų100.761%0.60755%0.55SS*.Hα-helixtrans-65.4-42.8174-70.8-161.1120.800111.9L744 L750 L751 L752L744-E748 PolarHBondContact O-N 3.33Å; E748-L750 VanDerWaalsContact C-N 3.34Å; E748-L750 PolarHBondContact O-N 2.92Å; E748-L751 CarbonylContact O-C 3.59Å; E748-L751 PolarHBondContact O-N 3.07Å; E748-L751 VanDerWaalsContact O-N 3.11Å; E748-L752 WeakPolarHBondContact O-CD1 3.28Å; E748-L752 PolarHBondContact O-N 3.29Å
749A66.3Low52.4Low60 Ų60104.9 Ų104.950%0.49656%0.562SS.*Hα-helixtrans-60.1-41.6175.600000112.3G745 R753G745-A749 VanDerWaalsContact O-CB 3.27Å; G745-A749 WeakPolarHBondContact O-CB 3.1Å; G745-A749 PolarHBondContact O-N 3.24Å; A749-R753 VanDerWaalsContact O-CB 3.25Å; A749-R753 WeakPolarHBondContact O-CB 3.48Å; A749-R753 PolarHBondContact O-N 3.45Å
750L64.3Low52.1Low110 Ų110108.2 Ų108.258%0.57657%0.568SS**Hα-helixtrans-69.7-29.5174.6-75.9169.6000113S746 A747 E748 R754S746-L750 WeakPolarHBondContact O-CB 3.19Å; S746-L750 VanDerWaalsContact O-CG 3.32Å; S746-L750 WeakPolarHBondContact O-CG 3.08Å; S746-L750 PolarHBondContact O-N 3Å; A747-L750 PolarHBondContact O-N 3.38Å; E748-L750 VanDerWaalsContact C-N 3.34Å; E748-L750 PolarHBondContact O-N 2.92Å; L750-R754 WeakPolarHBondContact O-CB 3.5Å; L750-R754 PolarHBondContact O-N 2.84Å
751L65.2Low51.7Low112 Ų112111.7 Ų111.759%0.58658%0.582SS**Hα-helixtrans-75.8-39.9174.3-76.7167.8000112.5A747 E748 R754 K755A747-L751 WeakPolarHBondContact O-CB 3.48Å; A747-L751 VanDerWaalsContact O-CG 3.3Å; A747-L751 WeakPolarHBondContact O-CG 3.3Å; A747-L751 PolarHBondContact O-N 3.28Å; E748-L751 CarbonylContact O-C 3.59Å; E748-L751 PolarHBondContact O-N 3.07Å; E748-L751 VanDerWaalsContact O-N 3.11Å; L751-R754 PolarHBondContact O-N 3.33Å; L751-K755 PolarHBondContact O-N 2.76Å
752L66Low51.3Low106 Ų106118.2 Ų118.256%0.55560%0.601SS**Hα-helixtrans-63.5-45.2170.3-94.178.9000110.5E748 R754 K755 L756E748-L752 WeakPolarHBondContact O-CD1 3.28Å; E748-L752 PolarHBondContact O-N 3.29Å; L752-R754 VanDerWaalsContact C-N 3.34Å; L752-R754 PolarHBondContact O-N 3.39Å; L752-K755 WeakPolarHBondContact O-CB 3.44Å; L752-K755 PolarHBondContact O-N 3Å; L752-L756 WeakPolarHBondContact O-CG 3.5Å; L752-L756 PolarHBondContact O-N 3.49Å
753R57.2Low50.7Low151 Ų151121 Ų12157%0.5762%0.616SS**Hα-helixtrans-60.8-41176.8-171.4169.2179.5149.87.2112.2A749 K755 L756 E757A749-R753 VanDerWaalsContact O-CB 3.25Å; A749-R753 WeakPolarHBondContact O-CB 3.48Å; A749-R753 PolarHBondContact O-N 3.45Å; R753-K755 VanDerWaalsContact C-N 3.3Å; R753-K755 PolarHBondContact O-N 3.07Å; R753-L756 PolarHBondContact O-N 3.45Å; R753-E757 HydrophobicContact CG-CG 4.27Å; R753-E757 IonicContact CZ-OE1 3.01Å; R753-E757 IonicContact NE-OE1 3.85Å; R753-E757 PolarHBondContact NE-OE1 2.96Å; R753-E757 IonicContact NH2-OE1 2.66Å; R753-E757 PolarHBondContact NH2-OE1 3.3Å; R753-E757 VanDerWaalsContact NH2-OE1 3.13Å; R753-E757 WeakPolarHBondContact O-CB 3.49Å; R753-E757 PolarHBondContact O-N 3.31Å
754R59.7Low50.2Low138 Ų138124.3 Ų124.352%0.52163%0.625SS.*Hα-helixtrans-69.8-17.9172.3-87.7-174.1172.31502.8115.4L750 L751 L752 K758L750-R754 WeakPolarHBondContact O-CB 3.5Å; L750-R754 PolarHBondContact O-N 2.84Å; L751-R754 PolarHBondContact O-N 3.33Å; L752-R754 VanDerWaalsContact C-N 3.34Å; L752-R754 PolarHBondContact O-N 3.39Å; R754-K758 WeakPolarHBondContact O-CG 3.47Å
755K58.5Low49.6Very low151 Ų151124.3 Ų124.366%0.65763%0.625SS**Hα-helixtrans-78.8-45.4168.1-80.7-178.5171.4-178.50110.7L751 L752 R753 K758L751-K755 PolarHBondContact O-N 2.76Å; L752-K755 WeakPolarHBondContact O-CB 3.44Å; L752-K755 PolarHBondContact O-N 3Å; R753-K755 VanDerWaalsContact C-N 3.3Å; R753-K755 PolarHBondContact O-N 3.07Å; K755-K758 PolarHBondContact O-N 2.85Å
756L48.2Very low48.3Very low114 Ų114128.5 Ų128.560%0.59764%0.638SS**Hα-helixtrans-69.1-46.2-179-67.7167.2000112.6L752 R753 K758 Q759L752-L756 WeakPolarHBondContact O-CG 3.5Å; L752-L756 PolarHBondContact O-N 3.49Å; R753-L756 PolarHBondContact O-N 3.45Å; L756-K758 PolarHBondContact O-N 3.44Å; L756-Q759 PolarHBondContact O-N 3.43Å
757E44.5Very low47.4Very low122 Ų122131.4 Ų131.457%0.5765%0.649SS**THydrogen-bonded Turntrans-65.4-1.7173.4-72175.1175.200113.4R753R753-E757 HydrophobicContact CG-CG 4.27Å; R753-E757 IonicContact CZ-OE1 3.01Å; R753-E757 IonicContact NE-OE1 3.85Å; R753-E757 PolarHBondContact NE-OE1 2.96Å; R753-E757 IonicContact NH2-OE1 2.66Å; R753-E757 PolarHBondContact NH2-OE1 3.3Å; R753-E757 VanDerWaalsContact NH2-OE1 3.13Å; R753-E757 WeakPolarHBondContact O-CB 3.49Å; R753-E757 PolarHBondContact O-N 3.31Å
758K44.7Very low46.6Very low181 Ų181135.4 Ų135.479%0.78766%0.664SS**THydrogen-bonded Turntrans-107.73.5171.3-80.5-167.6170.2-162.50114.4R754 K755 L756R754-K758 WeakPolarHBondContact O-CG 3.47Å; K755-K758 PolarHBondContact O-N 2.85Å; L756-K758 PolarHBondContact O-N 3.44Å
759Q36.1Very low45.2Very low158 Ų158136.8 Ų136.874%0.73867%0.67SS**THydrogen-bonded Turntrans-117.4-2.1178-67.6-170.3-75.300114.2L756L756-Q759 PolarHBondContact O-N 3.43Å
760E33.1Very low43.6Very low179 Ų179139.6 Ų139.684%0.83668%0.677SS**SBendtrans-110.565.7171.5-68.6-165.614600112.3
761L35.2Very low42.2Very low154 Ų154142.7 Ų142.781%0.80669%0.688SS**SBendtrans-163.3102.7160.5-113167.2000112.7
762K33.8Very low40.4Very low189 Ų189144.2 Ų144.282%0.82270%0.696SS**  trans68.2105.6169.2-54.8-175.9178.8-171.90118.1
763D33.1Very low39.1Very low152 Ų152143.4 Ų143.481%0.81370%0.698SS**  trans-89165.3137.2-69.3-49.6000109.7
764N32.1Very low37.5Very low134 Ų134143.6 Ų143.672%0.71771%0.709SS**  trans64.9127.9170-70.157.8000117.2
765D36.6Very low36Very low119 Ų119142.5 Ų142.564%0.63672%0.717SS**  cis-154.5150.3-3.6-79.9-45.5000108.3
766N32.1Very low34.5Very low129 Ų129143.6 Ų143.669%0.6973%0.725SS**  trans51.5141.5133-64.423.4000121.7
767D35Very low33.4Very low125 Ų125144.4 Ų144.467%0.66873%0.728SS**  cis-155.3172.68.3-96.1-27.6000111.8
768D36.5Very low32.7Very low129 Ų129143 Ų14369%0.6973%0.732SS**  trans64.3108.9154.8-65.31.6000120.5
769H31.4Very low31.8Very low159 Ų159141 Ų14174%0.73673%0.73SS**  82.313384.2-84.4-75.2000113.4
770D33.3Very low31.5Very low119 Ų119142.9 Ų142.964%0.63673%0.731SS**  cis-138.5171.69.2-91.2-53.1000110.4
771H33.8Very low31.2Very low176 Ų176138.7 Ų138.782%0.81572%0.722SS**  cis-142157.823.3-104.7-64000113.5
772N26.6Very low30.8Very low143 Ų143139 Ų13977%0.76572%0.719SS**  trans-141.3-163.9168.8-142-7.9000105.8
773P40.4Very low30.6Very low90 Ų90135.4 Ų135.458%0.58471%0.713SS**  cis-128.7-153.1-37.328.3-3.6000111.4
774I23.9Very low30.5Very low155 Ų155134.8 Ų134.880%0.79571%0.708SS**  trans74.4140.7161.3-54.8155.1000115.2
775T27.9Very low30.2Very low114 Ų114137.3 Ų137.370%0.69971%0.713SS**  cis-129.81711.97.60000109.2
776E26.2Very low30.1Very low175 Ų175136.3 Ų136.382%0.81871%0.713SS**  cis96.3153.312.9-132.5-162.1-80.200119.4
777I26.1Very low29.8Very low131 Ų131138.1 Ų138.167%0.67272%0.715SS**  trans83.991.5170-53.9179.9000120.1
778S28.2Very low29.7Very low93 Ų93140.2 Ų140.265%0.6573%0.726SS**  trans38.4140.3140.170.70000125
779N26.5Very low29.3Very low138 Ų138139.8 Ų139.874%0.73872%0.723SS**  -167.7138.1115.5-98.7-28.9000116.7
780Y29Very low29Very low197 Ų197138.3 Ų138.377%0.77372%0.72SS**  trans39.9111.5153.9-73.6-86.3000124.9
781S26.7Very low28.7Very low91 Ų91141.1 Ų141.164%0.63672%0.723SS**  57.8153.3118.282.50000121.9
782H28.8Very low28.3Very low160 Ų160140.9 Ų140.974%0.74172%0.722SS**  cis-158.415720.4-133.1-65.6000111
783T28Very low28.4Very low114 Ų114137.7 Ų137.770%0.69971%0.711SS**  trans56.8139159.850.10000119.8
784I31.1Very low27.8Very low139 Ų139138.4 Ų138.471%0.71371%0.709SS**  cis-145.9120.9-4.7-99.7152000104.3
785K27.2Very low28.1Very low187 Ų187141.3 Ų141.381%0.81371%0.71SS**  64.9145.376.1-78.9-173.8178.1178.80113.9
786P34.2Very low28Very low98 Ų98141.2 Ų141.264%0.63671%0.706SS**  cis-145.3174.4-21.540.8-23.1000116.2
787K24.5Very low28.1Very low168 Ų168138.8 Ų138.873%0.7370%0.703SS**  trans61.1124.1147.4-72.5161.4-178.9-173.50119.8
788N32.9Very low28Very low168 Ų168136.8 Ų136.890%0.89870%0.7SS**  -123.6134.2103.9-105.2-20.6000109.2
789N28.9Very low28Very low120 Ų120140 Ų14064%0.64271%0.705SS**  trans-88.5144.9168.8-74.37.6000107.5
790L25.4Very low27.9Very low129 Ų129138.5 Ų138.568%0.67570%0.701SS**  cis89.2114.532.9-168.879.5000113.4
791Y26.5Very low27.7Very low178 Ų178136 Ų13670%0.69870%0.696SS**  trans67.2150.5175.5-65.3-52.7000118.2
792Q26.6Very low27.7Very low170 Ų170140.3 Ų140.379%0.79470%0.704SS**  cis-120.4151.41.3-105.8113.6-2.100111.4
793S28.3Very low27.5Very low76 Ų76137.6 Ų137.653%0.53170%0.703SS.*  cis99.7148.134.81090000112.7
794I27.1Very low28.2Very low105 Ų105136.9 Ų136.954%0.53870%0.7SS.*  cis-158.9-174.1-12.6-83.1145.2000104.3
795W30.3Very low28Very low216 Ų216136.5 Ų136.582%0.81870%0.698SS**  trans99.9132.1149.2-47.1106000117.1
796D25.7Very low28Very low113 Ų113132.4 Ų132.460%0.60469%0.685SS**  cis-165.7155.6-26.8-138.243.7000114.1
797T28.2Very low27.7Very low124 Ų124136 Ų13676%0.76169%0.686SS**  trans57.7164.3141-67.70000121
798S23.9Very low27.6Very low88 Ų88136.4 Ų136.462%0.61568%0.684SS**  trans-140.1162.2-168.462.80000111.8
799H28.4Very low27.9Very low162 Ų162138.1 Ų138.175%0.7568%0.679SS**  trans171.2135.2131.3-99.840.8000116
800T25.3Very low28.1Very low106 Ų106140.5 Ų140.565%0.6569%0.686SS**  trans41.5133.1138.471.60000121.5
801Q24.7Very low28Very low145 Ų145144.7 Ų144.768%0.67870%0.695SS**  -178163.671.1-88.7-159.87.300114.5
802K26.7Very low28.1Very low181 Ų181145 Ų14579%0.78770%0.702SS**  trans68.7109.9147.3-79.4166.5179.4144.60122.1
803S24.7Very low27.9Very low103 Ų103145.4 Ų145.472%0.7270%0.702SS**  trans-87.4-155.3141.760.50000109.3
804P41.8Very low27.8Very low99 Ų99145.9 Ų145.964%0.64371%0.705SS**  cis-140.3-160.7-1626.50000114.3
805I27.1Very low27.8Very low130 Ų130149 Ų14967%0.66772%0.717SS**  123.2127113.4-119.8-178.5000122.2
806N26.3Very low27.5Very low102 Ų102148.1 Ų148.155%0.54572%0.715SS.*  trans75.3149.6141.4-71.6-22.1000123.8
807R27.7Very low28.2Very low174 Ų174148 Ų14866%0.65772%0.721SS**  cis176.5165.14.7-112.7164.2-170.3-1713.4114.3
808Y24.2Very low28.3Very low176 Ų176152.5 Ų152.569%0.6972%0.723SS**  trans85.7160.4137.3-79.9-36.9000125.2
809Y37.4Very low28.6Very low204 Ų204153.1 Ų153.180%0.872%0.72SS**  trans77.5148.8172.4-59.5-61.8000117.6
810Q32.9Very low28.6Very low169 Ų169150.5 Ų150.579%0.7971%0.711SS**  cis-157.2-178.8-22.3-175155-23.200110.6
811Y23.5Very low28.7Very low218 Ų218152 Ų15286%0.85571%0.711SS**  trans-71.4166.3-170.9-95.4-114.2000118.8
812Q29Very low28.9Very low183 Ų183152.4 Ų152.486%0.85571%0.713SS**  trans99.4161.4158.6-54.8-166.624.100118.2
813K23.7Very low29Very low179 Ų179148.3 Ų148.378%0.77871%0.707SS**  cis-177.2140.5-49.3-162.1176.2-177.5-178.20108.9
814S25.6Very low29.1Very low86 Ų86152.8 Ų152.860%0.60171%0.713SS**  trans65.9148.3168.612.10000117.1
815H26.4Very low28.5Very low171 Ų171158.9 Ų158.979%0.79273%0.725SS**  cis-131.1149-8-68.5-72.4000108.2
816Y24.9Very low28.6Very low198 Ų198161.4 Ų161.478%0.77673%0.732SS**  66.3145.251.7-82.6-95.5000115
817P38.8Very low28.6Very low111 Ų111163.1 Ų163.172%0.72174%0.74SS**  cis-118-175.713.344.3-31.1000114
818R30.8Very low28.6Very low217 Ų217164.9 Ų164.982%0.81975%0.746SS**  cis-159120.223.8-163.3174.7-176.2-168.91.4115.3
819N30Very low28.7Very low101 Ų101164.1 Ų164.154%0.5475%0.749SS.*  trans54.3156.5135.6-56.131.2000122.4
820N29.1Very low28.3Very low107 Ų107158.2 Ų158.257%0.57274%0.743SS**  cis-167.9154.1-13.3-105.812.9000111.6
821Q28.4Very low28Very low139 Ų139161.9 Ų161.965%0.6575%0.75SS**  trans58.2152.7137.5-63.2175.9-68.300121
822E28.7Very low28.2Very low152 Ų152156.1 Ų156.171%0.7174%0.741SS**  cis-160.6175-11-119.6158.8-160.300114
823S28.8Very low28.2Very low95 Ų95154.4 Ų154.466%0.66474%0.736SS**  trans8.6124.4164.555.70000121
824K25.7Very low28.2Very low197 Ų197149.9 Ų149.986%0.85773%0.727SS**  55.311668.2-75.8-175.2174.31730116.8
825Y28.8Very low28.4Very low228 Ų228152.6 Ų152.689%0.89474%0.735SS**  -158178.9127.1-105.3-69.4000111.4
826K29.4Very low28.5Very low183 Ų183150.9 Ų150.980%0.79673%0.731SS**  trans-87.4174.4-170.9-56.2172.4-178.2173.90110.6
827L27.4Very low28.7Very low138 Ų138152.2 Ų152.272%0.72374%0.737SS**  cis-176141.536.5-175.471.6000112.4
828R27.8Very low28.1Very low210 Ų210155.7 Ų155.779%0.79274%0.743SS**  trans63.5160.1158.4-82.2179.8-167-150.56.4118.5
829Q26.5Very low27.8Very low160 Ų160152.2 Ų152.275%0.74874%0.74SS**  cis-164145.9-32.4-138169.2-8.600111.3
830A29.2Very low27.6Very low81 Ų81154.1 Ų154.167%0.66975%0.75SS**  trans69.9117.715100000123.9
831R25.5Very low27.5Very low246 Ų246156.2 Ų156.293%0.92876%0.761SS**  trans64.6145.3136.6-55.7177.7-177.6-161.9-1118.4
832S27.9Very low27.4Very low97 Ų97159.3 Ų159.368%0.67877%0.766SS**  cis-165.4148.627.9-157.10000113.4
833I28.8Very low27.2Very low146 Ų146161.9 Ų161.975%0.74977%0.771SS**  trans39.3117.4143.6-85.4157.7000119.7
834S24.8Very low27.3Very low84 Ų84160.3 Ų160.359%0.58777%0.77SS**  75.7140.771.1100.20000113.7
835D29.1Very low27.7Very low144 Ų144157.3 Ų157.377%0.7777%0.77SS**  cis-141-178.912.2-76.6-70.5000113.4
836D28Very low27.6Very low134 Ų134151.7 Ų151.772%0.71777%0.765SS**  trans-61.6167-179.4-54.2-57000114.6
837Y30Very low27.5Very low227 Ų227151.1 Ų151.189%0.8976%0.762SS**  cis-157.8155.347.5-107.9-90.5000113.6
838E26.4Very low27.5Very low183 Ų183150.1 Ų150.186%0.85576%0.758SS**  trans-110.6159.3168.3-149.7171.5-132.100111.8
839L24Very low27.5Very low144 Ų144145.9 Ų145.975%0.75476%0.755SS**  trans-97.4148.7175-69156.9000109.7
840N26.2Very low27.6Very low141 Ų141147 Ų14775%0.75475%0.753SS**  166.5173.4109.1-88.3-52.5000116.8
841L25.2Very low27.6Very low151 Ų151152.6 Ų152.679%0.79176%0.758SS**  trans-31161178.6-74.966.9000120.2
842R26.2Very low27.6Very low204 Ų204144.9 Ų144.977%0.7774%0.742SS**  trans-58.8136.1154.9-56.5174.9177.7-165.5-1110.9
843Y25.6Very low27.6Very low207 Ų207146.8 Ų146.881%0.81275%0.745SS**  178.8151.697.1-97.8-72.4000110.2
844G30.3Very low27.5Very low62 Ų62148.2 Ų148.264%0.63975%0.748SS**PPolyproline II helixtrans-95.7157.2176.100000113.2
845P35.2Very low27.7Very low133 Ų133148.1 Ų148.186%0.86475%0.753SS**PPolyproline II helixtrans-85.9158.1179.934.8-35.1000113.8
846S25.1Very low27.7Very low110 Ų110145.7 Ų145.777%0.76975%0.747SS**PPolyproline II helixtrans-90.7169.6-175-37.90000114.1
847K27.6Very low27.8Very low172 Ų172145.8 Ų145.875%0.74875%0.747SS**  -179.3138.8107.3-98.6177.4157.3-86.90116.6
848D27.5Very low27.7Very low117 Ų117141.8 Ų141.863%0.62674%0.741SS**  trans61.3117.6135.7-54.2-10.7000122.2
849V28.9Very low27.7Very low120 Ų120137.3 Ų137.373%0.72773%0.73SS**  156.3127.684.3116.50000116.6
850Y27.7Very low27.9Very low183 Ų183135.7 Ų135.772%0.71873%0.73SS**  trans56.6136.2154.4-76.1-62.4000128
851Y28.7Very low28Very low199 Ų199132.9 Ų132.978%0.7873%0.727SS**  trans58.2144.2144.7-71.2-53.8000121
852S27Very low28.1Very low84 Ų84131 Ų13159%0.58773%0.727SS**  cis-165173.8-17.7-146.70000112.3
853D27.6Very low28.3Very low137 Ų137125.7 Ų125.773%0.73372%0.721SS**  trans75.1115.5147.8-59.2-6.1000123.1
854E26Very low28.4Very low176 Ų176123.8 Ų123.882%0.82272%0.719SS**  77.6139.9126.2-74-60.8153.100125.1
855A29.9Very low28.2Very low82 Ų82125.5 Ų125.568%0.67872%0.722SS**  trans61.4146.8154.700000122
856S28.1Very low27.8Very low94 Ų94124 Ų12466%0.65771%0.714SS**  cis-170.1173.5-24.561.70000110.9
857L29.9Very low28Very low135 Ų135125 Ų12571%0.70772%0.716SS**  trans69.9111.7154.9-65.2170.3000120.3
858N27.8Very low27.8Very low143 Ų143120.9 Ų120.977%0.76571%0.714SS**  54.8147.1111.6-63.35.8000121.5
859S26.6Very low28.3Very low90 Ų90120.4 Ų120.463%0.62972%0.717SS**  cis-174174.7-12.452.60000110.1
860S28.4Very low28.2Very low109 Ų109121.2 Ų121.276%0.76272%0.717SS**  trans64.7142149.946.10000119.5
861A29Very low28.2Very low82 Ų82118.9 Ų118.968%0.67872%0.717SS**  cis-164.9175.2-13.100000110.2
862S26.4Very low28.2Very low113 Ų113115.8 Ų115.879%0.7971%0.714SS**  trans31.1136.314360.60000120.6
863S30.3Very low28.2Very low92 Ų92120.6 Ų120.664%0.64372%0.72SS**  cis-157.4-177.418.567.70000110.7
864E27.8Very low28.1Very low166 Ų166122 Ų12278%0.77671%0.714SS**  cis-156.1-179.15.4-143.6125.2-152.400112.8
865S26.5Very low28Very low99 Ų99121 Ų12169%0.69271%0.708SS**  trans-31.2160.9161.258.40000118.1
866S26.5Very low27.7Very low102 Ų102127.9 Ų127.971%0.71372%0.716SS**  cis-176-174.5-854.20000107
867T28.8Very low27.6Very low130 Ų130128.9 Ų128.980%0.79872%0.718SS**  cis-158.8162.117-26.10000109.5
868A25.3Very low27.3Very low85 Ų85127.6 Ų127.670%0.70272%0.721SS**  trans-91.9-159.716900000110.5
869P37.7Very low27.1Very low108 Ų108125.6 Ų125.670%0.70172%0.718SS**  cis-144.9-174.5-4.438.4-15.5000118
870D26.8Very low27.1Very low136 Ų136127 Ų12773%0.72773%0.728SS**  trans87137.4133.3-95.414.9000126.3
871N26.8Very low26.9Very low134 Ų134132 Ų13272%0.71773%0.732SS**  trans73.2149.3160.4-63.8-62000118.5
872N29.7Very low26.7Very low135 Ų135134.4 Ų134.472%0.72273%0.733SS**  cis-157.1-177.313.9-139.8-40.1000114.9
873R27.1Very low26.6Very low185 Ų185135.9 Ų135.970%0.69873%0.732SS**  trans-52.5166.2172.1-74.3174.6163.2165.2-7.1116.2
874W24.4Very low26.5Very low165 Ų165138.3 Ų138.363%0.62574%0.742SS**  cis-167173.516-121.74.1000114.1
875F24.6Very low26.3Very low157 Ų157134.6 Ų134.669%0.68974%0.741SS**  trans82.1117.3159-73.4-60.1000124.1
876R23.7Very low26.3Very low226 Ų226136.6 Ų136.685%0.85374%0.743SS**  40.1143.6126.2-77.3-174.5179.1-162.3-0.4121
877T25Very low26.1Very low114 Ų114140.8 Ų140.870%0.69975%0.745SS**  cis-145.2157.521.146.60000114.5
878S23.9Very low26.1Very low109 Ų109140.8 Ų140.876%0.76275%0.747SS**  trans44.1142.514459.40000122.3
879S24.7Very low26.1Very low100 Ų100142.8 Ų142.870%0.69975%0.746SS**  cis-169.4132.1-2.41640000110.9
880S26.1Very low25.6Very low121 Ų121149.7 Ų149.785%0.84676%0.758SS**  trans-175.3151.7134.9-91.60000108.9
881Y24.5Very low25.4Very low213 Ų213153.6 Ų153.684%0.83576%0.763SS**  trans-98.5149.7-174-70.4-96.1000112.2
882N24.9Very low25.4Very low133 Ų133159.1 Ų159.171%0.71177%0.774SS**  -164.3174.4115.5-100.10.1000111.9
883L24.2Very low25.2Very low144 Ų144161.8 Ų161.875%0.75478%0.779SS**  trans-91.8144.5-156.3-59.882.8000114.6
884T27.4Very low25.5Very low142 Ų142158.1 Ų158.187%0.87178%0.779SS**  trans-148.3143.7138.247.30000108.6
885A24.7Very low25.6Very low89 Ų89161.9 Ų161.974%0.73679%0.793SS**  trans-73.8155.8175.900000111.8
886D24.7Very low25.6Very low141 Ų141158.1 Ų158.175%0.75480%0.799SS**  178.5169.489.8-126.2-21.3000116
887Y23.8Very low25.9Very low189 Ų189153.6 Ų153.674%0.74180%0.796SS**  trans-55.8142.6-176.8-70.4-99.1000116.5N889Y887-N889 VanDerWaalsContact C-N 3.29Å; Y887-N889 PolarHBondContact O-N 3.42Å; Y887-N889 PolarHBondContact O-ND2 3.13Å
888P28.2Very low26.1Very low130 Ų130154.6 Ų154.684%0.84480%0.796SS**  trans-69.888156.831.5-33000109.9R890P888-R890 PolarHBondContact O-N 2.78Å
889N24.7Very low26.4Very low128 Ų128160.3 Ų160.368%0.68480%0.801SS**  trans-45.8123.6-179.8-94-104.5000113.8Y887 R891Y887-N889 VanDerWaalsContact C-N 3.29Å; Y887-N889 PolarHBondContact O-N 3.42Å; Y887-N889 PolarHBondContact O-ND2 3.13Å; N889-R891 PolarHBondContact O-N 2.98Å
890R26.9Very low26.6Very low253 Ų253160.2 Ų160.296%0.95580%0.8SS**  trans-69.388.2150-88.4-163.9178.5-161.43.2108.1P888 W892P888-R890 PolarHBondContact O-N 2.78Å; R890-W892 PolarHBondContact O-N 3.03Å
891R24.1Very low26.5Very low218 Ų218161.7 Ų161.782%0.82380%0.798SS**  trans-67.4100.2-172.9-162.6-170.3-152.6-163.88.8112.1N889N889-R891 PolarHBondContact O-N 2.98Å
892W25.5Very low26.9Very low250 Ų250159.5 Ų159.595%0.94780%0.799SS**  trans-122.8138.7148.6-8578.6000108.4R890R890-W892 PolarHBondContact O-N 3.03Å
893K26.5Very low26.9Very low191 Ų191158.5 Ų158.583%0.8379%0.794SS**  trans-121.5164.8-178.3-100.2-155170.5-172.10110.4
894P33.7Very low27.1Very low108 Ų108162.7 Ų162.770%0.70180%0.8SS**  trans-116.1173.5-136.942.2-37000115.2
895R26.6Very low27Very low243 Ų243159.5 Ų159.592%0.91780%0.795SS**  178106.8126-98.7169.5178.9-147-0.7114.7
896G24.8Very low27Very low79 Ų79166.3 Ų166.381%0.81480%0.803SS**  70.1176.4127.100000123.6
897V30.1Very low27.7Very low131 Ų131164.5 Ų164.579%0.79480%0.799SS**  trans98.585.3156.8-168.60000119.7
898I29Very low27.8Very low134 Ų134162.8 Ų162.869%0.68780%0.798SS**  84.6131.6128.9-67.7-179.2000122.6
899R29.1Very low27.6Very low230 Ų230163.4 Ų163.487%0.86879%0.789SS**  trans68.4152.5159.5-77.6161.1-153.2-158.25.2119.5
900S29.2Very low27.6Very low97 Ų97166.6 Ų166.668%0.67879%0.793SS**  cis-172.2143-28.848.40000111.8
901N24.5Very low27.5Very low152 Ų152161.3 Ų161.381%0.81378%0.779SS**  trans11.8136.7161.8-53.99.4000121.9
902I32.4Very low27.5Very low168 Ų168158.8 Ų158.886%0.86278%0.776SS**  -169.2116.3116.7-95.8154.4000112.7
903D25.4Very low27.5Very low112 Ų112151 Ų15160%0.59976%0.76SS**  trans24.8138.6143.5-97.117.2000127
904R28.2Very low27.5Very low231 Ų231150.9 Ų150.987%0.87276%0.76SS**  trans70.9152.3149.3-58.2164.1-148.9-167.47.4118.1
905G26Very low27Very low75 Ų75150.8 Ų150.877%0.77376%0.758SS**  cis-176.4166.6-3.800000112.6
906Y23.6Very low27Very low233 Ų233146 Ų14691%0.91475%0.749SS**  trans-90.3173.8-178.6-86.3-105.3000112.9
907P40.3Very low27.3Very low103 Ų103145.6 Ų145.667%0.66974%0.744SS**  -142-152-52.142.8-22.2000113.7
908H24.8Very low27.3Very low152 Ų152149.4 Ų149.470%0.70474%0.744SS**  trans94.2109.2167.5-88.9-84000122.4
909E24.5Very low27.3Very low143 Ų143148.9 Ų148.967%0.66874%0.742SS**  62.5126128.6-77.1-178.5144.900128.1
910Y25Very low27.5Very low195 Ų195143.3 Ų143.377%0.76573%0.73SS**  trans79.8131.9139.3-84-67.3000126.3
911H23.6Very low27.6Very low143 Ų143147.8 Ų147.866%0.66273%0.732SS**  trans64.1115.3160.7-87.7-78000123.5
912E23.9Very low27.9Very low164 Ų164149.2 Ų149.277%0.76673%0.726SS**  32.8140.7122.1-73.1-178150.600121.4
913S26.6Very low27.8Very low87 Ų87148.3 Ų148.361%0.60872%0.718SS**  cis-170.9167.415.146.80000114.2
914F25.4Very low28.1Very low188 Ų188146 Ų14683%0.82572%0.721SS**  trans63.3158.3152.9-71.7-49.5000119.9
915T24.7Very low28.4Very low106 Ų106142.5 Ų142.565%0.6572%0.717SS**  cis-156.5150.8-3.77.30000113.8
916I26.7Very low28.6Very low144 Ų144150 Ų15074%0.73872%0.722SS**  trans66.7129.9140.1-67.3166.7000123.7R918I916-R918 HydrophobicContact CG2-CG 4.04Å
917G30.5Very low29Very low69 Ų69147.9 Ų147.971%0.71171%0.713SS**  trans178.391.7148.900000111.8
918R29.6Very low28.6Very low212 Ų212153.3 Ų153.380%0.872%0.72SS**  66.4138.485.9-70.1-167.5175.3-151.52113.9I916I916-R918 HydrophobicContact CG2-CG 4.04Å
919L29.3Very low28.7Very low122 Ų122152.4 Ų152.464%0.63972%0.716SS**  cis-165.5175.28-125.3173.9000112.9
920N32.9Very low28.9Very low114 Ų114152.6 Ų152.661%0.6172%0.721SS**  trans87.6140.3159.4-56.6-47.2000119.8
921R32.7Very low28.9Very low191 Ų191150.4 Ų150.472%0.72172%0.717SS**  cis-166.2138.2-16.2-116.6175.3-159.5-144.91.5112.3
922R29.8Very low29.1Very low181 Ų181150.4 Ų150.468%0.68372%0.717SS**  50.5152.4129.8-69.5-176.6142.8165.8-12.4121.8
923E30.7Very low29.1Very low150 Ų150148.9 Ų148.970%0.70171%0.714SS**  cis-163.5163.6-11.6-119155.6-175.600108.7
924G30.6Very low29.1Very low64 Ų64154.7 Ų154.766%0.6672%0.724SS**  cis-143.4-125.6-5.400000108.7
925I34.3Very low29Very low156 Ų156152.1 Ų152.180%0.872%0.718SS**  cis-154.9115.3-13.8-56.3-180000103
926R30.6Very low28.9Very low232 Ų232153 Ų15388%0.87573%0.729SS**  58147.484-69.5-178.6169-168.3-5.2115.7
927R32.9Very low28.9Very low189 Ų189155 Ų15571%0.71373%0.732SS**  cis-129.6-173.7-2-119-152.6-145.1-134.519.6107.6H929R927-H929 PolarHBondContact NH1-NE2 3.48Å
928R30.6Very low28.5Very low217 Ų217158.4 Ų158.482%0.81973%0.732SS**  cis-106.6-108.32.1-74.8-167175.6-143.61.4112.1
929H27.2Very low28.4Very low133 Ų133157.6 Ų157.662%0.61673%0.73SS**  trans-145.1-162.8-159.6-49.5-65.8000110.3R927R927-H929 PolarHBondContact NH1-NE2 3.48Å
930L28.7Very low28.6Very low147 Ų147157.9 Ų157.977%0.7774%0.739SS**  cis-162.7144.417.2-139.2165.6000111.4
931H26.7Very low28.1Very low150 Ų150159.1 Ų159.169%0.69475%0.745SS**  trans53.8133.8160.4-90-153.4000126.7
932H27.8Very low27.9Very low143 Ų143159.8 Ų159.866%0.66275%0.749SS**  trans11.5161.3139.1-58.4-32.4000124.5
933L23.6Very low27.7Very low132 Ų132161.2 Ų161.269%0.69176%0.76SS**  cis-170150.4-25.9-103.4176.7000109.7
934Y25.2Very low27.5Very low209 Ų209158.8 Ų158.882%0.8276%0.76SS**  trans63.7159.7156.8-87.6-67.2000124.4
935D23.1Very low27.4Very low133 Ų133164 Ų16471%0.71177%0.767SS**  trans-65.2147.7-172.1-71.2-87.3000117.7
936S24.5Very low27Very low125 Ų125164.8 Ų164.887%0.87477%0.767SS**  -175.8176.7110.3-84.10000113.5
937K24.9Very low26.7Very low185 Ų185162.3 Ų162.380%0.80476%0.763SS**  trans-116.3158.1-171.6-62178.2177.7174.60113.7
938M23.6Very low26.4Very low142 Ų142162.8 Ų162.870%0.777%0.766SS**  trans86.997.1159.5-62.8-77.4156.600119.6
939Y26.7Very low26.2Very low195 Ų195157.7 Ų157.777%0.76576%0.755SS**  48.2147.8113.5-71.1-64.3000121.3
940P33.1Very low26.2Very low128 Ų128158.3 Ų158.383%0.83176%0.762SS**  -141.5-146.651.741.9-20.6000117.1
941L23.8Very low26.4Very low140 Ų140156.6 Ų156.673%0.73376%0.76SS**  trans-122173.5-151.8-83.9159.8000115.8
942Y27.5Very low26.4Very low205 Ų205156.6 Ų156.680%0.80477%0.765SS**  trans79.5104.8159-77.7-75.4000121.1
943K26.5Very low26.4Very low210 Ų210158.1 Ų158.191%0.91377%0.772SS**  -158.5160.991.8-115.5174.5-179.5173.90111.3
944S26.5Very low27.2Very low100 Ų100156 Ų15670%0.69977%0.766SS**  trans-139.5141.7179.1620000111.4
945Q26.9Very low27.3Very low172 Ų172154.7 Ų154.780%0.80477%0.768SS**  trans166.7144.6156.9-95177.9400106.2
946H26.9Very low27.5Very low174 Ų174152.2 Ų152.281%0.80676%0.761SS**  cis-141.6156.7-1.7-115.5-65.1000110.3
947F24.6Very low27.6Very low180 Ų180154.4 Ų154.479%0.78976%0.755SS**  trans-79.2149.7168-101.7-98.8000112.1
948Y26.5Very low27.6Very low198 Ų198153.3 Ų153.378%0.77675%0.75SS**  trans169.8147.4134-84.2-46.4000108.6
949N27Very low27.7Very low111 Ų111151.2 Ų151.259%0.59475%0.749SS**  cis-162.1153.17.7-129-26.9000113.5
950L26.8Very low27.8Very low146 Ų146149.3 Ų149.376%0.76475%0.747SS**  trans66.7154150.4-63.4160.9000120.9
951P33.2Very low27.5Very low111 Ų111149 Ų14972%0.72174%0.743SS**  cis-140.7162-28.737.4-19.4000118.1
952N26.4Very low27.8Very low150 Ų150151.5 Ų151.580%0.80274%0.744SS**  trans-60.4174.6163.1-45-42.7000113.1
953H26.9Very low28Very low175 Ų175146.8 Ų146.881%0.8174%0.741SS**  cis-161-163.211.4-139.3-147.8000110
954P40.3Very low28.1Very low88 Ų88139.9 Ų139.957%0.57173%0.729SS**  trans-137.2-154.5-137.636.3-8.2000116.3
955Q27.7Very low28.3Very low181 Ų181146 Ų14685%0.84674%0.737SS**  trans77.5145.5162.9-70.3-175.223.200118.3
956S27.4Very low28.5Very low81 Ų81145 Ų14557%0.56674%0.736SS**  cis-161.3165.6-754.90000113.4
957F25.5Very low28.5Very low171 Ų171142 Ų14275%0.7573%0.734SS**  trans67150160.3-68.2-51.9000118.7
958K25.4Very low29.2Very low161 Ų161139.1 Ų139.170%0.773%0.734SS**  cis-160.5141.3-3.4-136.8151.8-171.4160.60112.7
959S25.6Very low29.3Very low99 Ų99137.9 Ų137.969%0.69274%0.735SS**  trans66.3160.5153.476.30000118.4
960H29.4Very low29.5Very low155 Ų155139.4 Ų139.472%0.71874%0.743SS**  cis-152.1136.120.3-109.297.9000112.4
961T27.4Very low29.4Very low120 Ų120142.2 Ų142.274%0.73675%0.749SS**  trans53154.7145.653.90000122.1
962Y29.3Very low29.6Very low193 Ų193142.1 Ų142.176%0.75775%0.748SS**  cis-153.5165.418.2-160.4-104.5000113.4
963S31.6Very low29.6Very low106 Ų106141.3 Ų141.374%0.74175%0.749SS**  trans57.5129.5169.547.90000119.2
964G29.6Very low29.6Very low65 Ų65137.5 Ų137.567%0.6774%0.742SS**  cis-159.1140.6-5.700000111.1
965R29.6Very low28.9Very low228 Ų228140.5 Ų140.586%0.8675%0.753SS**  72.2125.598.3-80.6-165-176.5-152.34.2113.8
966I31.5Very low28.9Very low152 Ų152140.7 Ų140.778%0.77975%0.751SS**  cis-137.6155.612.1-59.1-175.1000111.6
967S26Very low29Very low110 Ų110143.4 Ų143.477%0.76975%0.753SS**  trans-77.4170.1-177.9-48.70000115.7
968P40.2Very low29.2Very low120 Ų120142.6 Ų142.678%0.77975%0.751SS**  trans-101.7-174.9-175.341.7-35.7000113.4
969E29.1Very low29.4Very low173 Ų173139.2 Ų139.281%0.80875%0.747SS**  trans-167139.9138.4-110.6-169.7-155.900116.5
970N30.5Very low29.5Very low142 Ų142140 Ų14076%0.75975%0.753SS**  trans62.6143.5139.3-65.1-28.6000126.7
971K24.8Very low29.5Very low206 Ų206142.2 Ų142.290%0.89676%0.755SS**  trans-78.4177-169.7-93.5-177.5174.5-178.90115.7
972P37.1Very low29.5Very low108 Ų108145.4 Ų145.470%0.70175%0.754SS**  trans-115.9173.5-150.243.5-36.7000116.7
973T27.1Very low29.3Very low133 Ų133143.5 Ų143.582%0.81676%0.755SS**  -175.6144.9124.128.90000115.8
974S26.3Very low29.1Very low96 Ų96144.8 Ų144.867%0.67175%0.753SS**  trans47.8119.9146.665.90000125.4
975L25.7Very low29Very low151 Ų151147.1 Ų147.179%0.79175%0.751SS**  58.6109.3127.8-60.4170.6000122
976F28.6Very low28.9Very low185 Ų185145.3 Ų145.381%0.81175%0.752SS**  -173.3178.993.4-114.9-87.7000113.6
977K28.9Very low28.5Very low138 Ų138147.1 Ų147.160%0.675%0.75SS**  trans-73.9166-176.8-71.3163.1174.7173.90113.4
978H29.5Very low28.9Very low153 Ų153147.1 Ų147.171%0.70875%0.748SS**  cis-155.6138.84.8-131.7-66.6000112.5
979S28.8Very low28.4Very low90 Ų90150.5 Ų150.563%0.62975%0.746SS**  trans35.2116.6148.5530000124.6
980S28.2Very low28.2Very low115 Ų115148.3 Ų148.380%0.80474%0.74SS**  trans74.6149.3133.3-47.10000119.4
981R29.3Very low28.3Very low202 Ų202150.7 Ų150.776%0.76275%0.747SS**  cis-148.3152.826.1-86.8-173.4171179.7-1114.4
982R27.1Very low28.5Very low188 Ų188148.5 Ų148.571%0.70974%0.739SS**  trans70.5128.3143.6-72.8-179.7179.6-177.4-3118.6
983L25.4Very low28.1Very low152 Ų152154.2 Ų154.280%0.79675%0.747SS**  6213685.9-59.1176.5000112.1
984L27Very low28.1Very low133 Ų133157.3 Ų157.370%0.69675%0.749SS**  cis-130.9-17734.7-124.650.1000110.1
985D28.5Very low28.2Very low115 Ų115162 Ų16262%0.61576%0.76SS**  cis-144.9165.113.2-113.7-55.3000108.1
986Q26.8Very low28.2Very low190 Ų190163.8 Ų163.889%0.88876%0.764SS**  -147130.153.9-78.4178.9-22.500114.4
987Y24.3Very low28.4Very low189 Ų189163 Ų16374%0.74177%0.766SS**  trans-69.5162.2142.5-89.2-83.7000109.7
988P34.6Very low28.4Very low111 Ų111163.8 Ų163.872%0.72178%0.777SS**  -159154.560.343.1-20.5000121.9
989Y28.2Very low28.9Very low191 Ų191161.6 Ų161.675%0.74978%0.776SS**  trans73.2118.7133-83.9-127.6000123.2
990N25Very low29Very low127 Ų127164.7 Ų164.768%0.67979%0.785SS**  52.6116.4128.8-59.22.6000120.9
991Q32.4Very low29.1Very low191 Ų191163.6 Ų163.689%0.89378%0.777SS**  -153.2152.4122.2-117165.181.900115.3
992H30.3Very low29.2Very low161 Ų161158.8 Ų158.875%0.74577%0.774SS**  trans-33.2153.2-172.7-76.3-71.6000124.1
993R27.3Very low29.3Very low227 Ų227154.6 Ų154.686%0.85777%0.774SS**  trans60.8117138.9-72.9178.5179-168.30.6120
994K28.7Very low29.5Very low198 Ų198152 Ų15286%0.86177%0.769SS**  -141.1126.2122.8-68.7-166.9178.2-175.70109.2
995H26.6Very low29.7Very low196 Ų196151.8 Ų151.891%0.90777%0.768SS**  trans-163.597.6164.1-106.2-65.7000111.7
996E26.3Very low29.9Very low188 Ų188153.4 Ų153.488%0.87977%0.772SS**  trans-155139.8154.5-97.3162.4-154.900101.9
997I32.5Very low30.1Very low167 Ų167151 Ų15186%0.85676%0.761SS**  cis-127.3163.530.4-66.1167.9000111.5
998L29.5Very low30.3Very low155 Ų155151.9 Ų151.981%0.81276%0.763SS**  trans-85.2-169-179.9-70.3164.2000112.8
999P39.4Very low29.7Very low108 Ų108157.4 Ų157.470%0.70177%0.771SS**  cis-129.3179-35.226.3-5.9000113.1
1000L31.1Very low30.3Very low154 Ų154152.9 Ų152.981%0.80677%0.765SS**  167.192.2126.4-86.3171.1000106.2
1001S30.8Very low30.4Very low93 Ų93153.7 Ų153.765%0.6577%0.769SS**  66.5131.982.472.40000114.6
1002S30.5Very low30.2Very low100 Ų100149.7 Ų149.770%0.69976%0.763SS**  cis-170.7172.8-10.651.60000110.3
1003S30.2Very low30Very low101 Ų101149.6 Ų149.671%0.70676%0.764SS**  trans65.7148.5149.841.10000119.7
1004S29.8Very low30Very low97 Ų97145.7 Ų145.768%0.67876%0.76SS**  cis-170.7-178.9-21.151.10000109.9
1005N31.6Very low30Very low128 Ų128143.1 Ų143.168%0.68476%0.755SS**  trans74131.4169.4-53.745.6000115
1006E31.8Very low30.1Very low150 Ų150139.2 Ų139.270%0.70174%0.741SS**  cis-152.1149.10.1-122.2155.2-135.800111.4
1007E31.1Very low30.2Very low140 Ų140140.2 Ų140.265%0.65474%0.737SS**  trans28.1150.8143.1-61.6-170.6162.600122.8
1008R28.8Very low29.9Very low206 Ų206139 Ų13978%0.77773%0.732SS**  cis-159.4161.92-125.3-179.1-104.2-152.5-9.6110.1
1009Y22.9Very low29.8Very low227 Ų227142.1 Ų142.189%0.8974%0.735SS**  trans-111.9176.2167.2-92.3-71.7000109.1
1010P40.6Very low29.2Very low96 Ų96145.6 Ų145.662%0.62374%0.739SS**  cis-134-166.2-29.939.5-21.4000112.8
1011D25.8Very low29.1Very low144 Ų144143.2 Ų143.277%0.7774%0.735SS**  trans39.3133.1147-58.9-28.8000123
1012S27.9Very low28.8Very low108 Ų108147.1 Ų147.176%0.75574%0.743SS**  164.9154.992.7560000116.1
1013M26.9Very low28.7Very low158 Ų158148.5 Ų148.578%0.77875%0.747SS**  trans47.8114.4154.4-59.3-71159.500119.9
1014L28Very low28.7Very low146 Ų146148 Ų14876%0.76474%0.737SS**  64.5114.768.4-72.8159.7000115.9
1015N29.1Very low28.8Very low144 Ų144151.5 Ų151.577%0.7775%0.748SS**  -165.9142.7123.5-110.7-48.1000117.1
1016N28.1Very low28.8Very low113 Ų113151.2 Ų151.260%0.60474%0.741SS**  trans45.1114.3146.1-77.1-41000124.7
1017R26.9Very low28.8Very low209 Ų209150.4 Ų150.479%0.78974%0.741SS**  64.5120.9116.1-68.2175.7174.6177.1-1.5121.8
1018N26.9Very low28.8Very low143 Ų143151.6 Ų151.677%0.76575%0.745SS**  43.696.8127.2-55.59.5000119
1019Y28.4Very low28.9Very low220 Ų220149.1 Ų149.186%0.86375%0.745SS**  trans-142.7140.4139.2-103.8-83000111.9
1020F26.5Very low29.5Very low181 Ų181143 Ų14379%0.79473%0.733SS**  trans3.6166.4155.6-82.2-103.3000123.7
1021S28.6Very low28.9Very low103 Ų103145.8 Ų145.872%0.7274%0.742SS**  trans66.9126173.127.70000114.7
1022Q23.6Very low29.5Very low175 Ų175144 Ų14482%0.81874%0.738SS**  cis54.496.526.8-72.8-174.7-28.400114.6
1023T30Very low29.5Very low129 Ų129147.6 Ų147.679%0.79174%0.743SS**  trans-159.283.8135.914.60000109
1024D29.5Very low29.5Very low90 Ų90146.4 Ų146.448%0.48175%0.745SS.*  41122.7126.6-47.2-45.2000120.5F1026D1024-F1026 HydrophobicContact CB-CD2 3.58Å; D1024-F1026 HydrophobicContact CB-CE2 3.4Å; D1024-F1026 HydrophobicContact CB-CG 4.25Å; D1024-F1026 HydrophobicContact CB-CZ 3.93Å; D1024-F1026 WeakPolarHBondContact OD2-CE2 3.43Å; D1024-F1026 VanDerWaalsContact OD2-CZ 3.31Å; D1024-F1026 WeakPolarHBondContact OD2-CZ 3.19Å
1025N32.8Very low29.6Very low171 Ų171145.5 Ų145.591%0.91475%0.749SS**  -123.8150.2107-132.5-32.7000109.3
1026F30.3Very low29.5Very low123 Ų123147.1 Ų147.154%0.53976%0.757SS.*  trans-101.6154.8-137.1-103-72.3000118.4D1024D1024-F1026 HydrophobicContact CB-CD2 3.58Å; D1024-F1026 HydrophobicContact CB-CE2 3.4Å; D1024-F1026 HydrophobicContact CB-CG 4.25Å; D1024-F1026 HydrophobicContact CB-CZ 3.93Å; D1024-F1026 WeakPolarHBondContact OD2-CE2 3.43Å; D1024-F1026 VanDerWaalsContact OD2-CZ 3.31Å; D1024-F1026 WeakPolarHBondContact OD2-CZ 3.19Å
1027N32Very low29.8Very low132 Ų132147.6 Ų147.671%0.70676%0.763SS**  trans75.7151.1155.6-60.6-36.6000119.9
1028K30.4Very low29.8Very low166 Ų166145.4 Ų145.472%0.72277%0.767SS**  cis178.6162-43.3-116.9178.3179.5172.90109
1029I30.8Very low30.3Very low154 Ų154144.6 Ų144.679%0.7977%0.768SS**  trans78138.9155.9-75.6161.5000115.5
1030P36.6Very low30.2Very low97 Ų97145.3 Ų145.363%0.6377%0.769SS**  -148.3175.3-10846.7-30000119.8
1031L28.4Very low30.4Very low155 Ų155141.7 Ų141.781%0.81277%0.766SS**  trans69.8178.4150.5-70.8161.8000116
1032P37Very low30.6Very low106 Ų106148.1 Ų148.169%0.68878%0.775SS**  -125.2-167.7-106.233.1-6.4000111.5
1033E29.7Very low30.8Very low184 Ų184145.2 Ų145.286%0.8677%0.774SS**  cis-149.2-176.433.3-72.7-168.4137.900113.5
1034T26Very low30.6Very low134 Ų134145.2 Ų145.282%0.82277%0.774SS**  trans-77.9132.4-171.6530000115
1035C29.1Very low30.8Very low126 Ų126147 Ų14785%0.85179%0.793SS**  trans-141.1105.9155.2-93.50000110.7
1036L28.9Very low30.8Very low179 Ų179144.4 Ų144.494%0.93779%0.786SS**  trans-99.1107.5169.3-83.2170.7000109.5
1037V32.8Very low30.8Very low122 Ų122148.1 Ų148.174%0.73980%0.801SS**  trans-101.7117.2167.7178.30000108.4T1039V1037-T1039 HydrophobicContact CG1-CG2 4.05Å
1038N28.3Very low30.7Very low163 Ų163152.9 Ų152.987%0.87281%0.81SS**  trans-137.2101.2174.8-152.4-8.5000108.8R1040N1038-R1040 PolarHBondContact O-N 3.08Å
1039T36Very low30.6Very low127 Ų127151.7 Ų151.778%0.77981%0.81SS**  trans-97.388.3-166.236.60000112.8V1037V1037-T1039 HydrophobicContact CG1-CG2 4.05Å
1040R27.6Very low30.6Very low234 Ų234152.2 Ų152.288%0.88381%0.809SS**  trans-131.9109.6158.1-111.2-175.9-179.6-169.50.6113.4N1038N1038-R1040 PolarHBondContact O-N 3.08Å
1041S29.7Very low30.4Very low105 Ų105155.8 Ų155.873%0.73481%0.814SS**  trans51.594.2149.2570000120.1
1042R32.5Very low30.4Very low239 Ų239156.1 Ų156.190%0.90282%0.816SS**  trans67120.7137.7-70.7-172.3171.6-176.1-2.5121.4
1043S27.9Very low30.2Very low113 Ų113156.4 Ų156.479%0.7982%0.82SS**  trans61.6110.1139.262.40000120
1044T26.8Very low30.3Very low129 Ų129150.7 Ų150.779%0.79181%0.811SS**  trans-134.5133.6151.855.20000111
1045S33.6Very low30.6Very low128 Ų128152.7 Ų152.790%0.89582%0.815SS**  trans-124.4101.9155.5-57.70000108.4
1046P32.3Very low30.7Very low116 Ų116151.6 Ų151.675%0.75381%0.809SS**  trans-93.4163.7173.833.9-29.2000112
1047K30Very low30.8Very low201 Ų201151.1 Ų151.187%0.87480%0.802SS**  trans-89.3128-171-65.7172-178172.30112.7
1048R30.5Very low31.2Very low233 Ų233150.9 Ų150.988%0.87980%0.803SS**  23.4116.9124-166.1-165.6-159.1178.37.7116.6
1049I27.8Very low31.3Very low140 Ų140152 Ų15272%0.71880%0.801SS**  178.1115119.9-88.1150.8000109
1050H30.3Very low31Very low166 Ų166156 Ų15677%0.76980%0.802SS**  -167.8110.7120.8-111.1-87000110.7
1051K33.2Very low30.9Very low172 Ų172151 Ų15175%0.74879%0.792SS**  trans19.4116.4153.1-60.3-178.8178.5178.90118.1
1052L29.5Very low31Very low161 Ų161151.4 Ų151.484%0.84379%0.79SS**  63.6137.579.9-66.6167.7000112.9
1053S31.9Very low30.8Very low112 Ų112147.9 Ų147.978%0.78378%0.784SS**  cis-179.4160.9-3.543.20000107.8
1054G32.4Very low30.8Very low64 Ų64150.1 Ų150.166%0.6678%0.784SS**  cis157.6169.3-300000111.3
1055L31.7Very low30.8Very low176 Ų176151.3 Ų151.392%0.92178%0.78SS**  trans67.9157.1160.2-51.4171.2000117.3
1056S31.4Very low30.6Very low104 Ų104153.9 Ų153.973%0.72777%0.772SS**  cis-152134.88.253.60000110.8
1057H31.6Very low30.4Very low168 Ų168155 Ų15578%0.77877%0.771SS**  59.2140.3105.9-76.837000117.5
1058P40.8Very low30.5Very low118 Ų118153.5 Ų153.577%0.76677%0.771SS**  -145.2-169.156.442.1-21.8000118.4
1059F30.3Very low30.4Very low187 Ų187145.6 Ų145.682%0.8276%0.763SS**  trans-44.7167.6176.1-60.3-94.3000117.2
1060R28.4Very low30.6Very low211 Ų211146.3 Ų146.380%0.79677%0.768SS**  cis-163.9155.423.7-147.4-171.3-175171.52113.3
1061N27.2Very low30.7Very low127 Ų127144.8 Ų144.868%0.67977%0.77SS**  trans66136.2151.4-79.716.3000124.6
1062T31.1Very low30.9Very low114 Ų114141.3 Ų141.370%0.69977%0.765SS**  trans60.4113.7142.951.30000124.3
1063E28.1Very low31Very low166 Ų166140.1 Ų140.178%0.77676%0.758SS**  79.9127.5126.7-68-174.3158.500124.5
1064M28.4Very low30.9Very low160 Ų160142.7 Ų142.779%0.78876%0.757SS**  trans60.9115145.5-61-166.4-165.900123.5
1065E26.1Very low30.8Very low153 Ų153149.1 Ų149.172%0.71576%0.761SS**  trans82.5146.8132.9-72.7-155.6143.400124
1066Y29.6Very low30.8Very low183 Ų183146.8 Ų146.872%0.71876%0.755SS**  trans44.791.5165.5-67.6-69.6000122.8
1067N27.8Very low31.3Very low139 Ų139147.1 Ų147.174%0.74375%0.754SS**  71.6142.3114.8-101.4-13.1000123.5
1068I32.1Very low31.3Very low169 Ų169147.3 Ų147.387%0.86775%0.753SS**  trans78.1125.4159-57.4152.6000118.2
1069G29.6Very low30.8Very low68 Ų68148.8 Ų148.870%0.70175%0.749SS**  trans134.588.8149.600000120.2
1070N31.4Very low31Very low155 Ų155149.7 Ų149.783%0.82975%0.749SS**  trans2.9128.8151.6-49.7-21.9000120.1
1071V32.4Very low31Very low133 Ų133150.2 Ų150.281%0.80675%0.751SS**  82.8131.3501700000114.1
1072P37.7Very low31.6Very low99 Ų99149.7 Ų149.764%0.64375%0.754SS**  cis-145.9170.5-23.439.6-18.7000119.4
1073I30.1Very low31.5Very low137 Ų137152 Ų15270%0.70376%0.762SS**  trans63.6171.3157.357.3172.7000120.3
1074H30.1Very low31.8Very low165 Ų165149.3 Ų149.376%0.76476%0.758SS**  cis-161.3166.313.5-138.4-6.5000117.7
1075R30.1Very low31.8Very low199 Ų199150.1 Ų150.175%0.75176%0.764SS**  trans62.7105.1151.5-74.3174.2-160.5-140.71.8127.7
1076T33.6Very low31.8Very low127 Ų127146 Ų14678%0.77976%0.763SS**  trans-24.2155.913758.20000119.9
1077P41.2Very low31.7Very low111 Ų111144.9 Ų144.972%0.72177%0.768SS**  -163.5-176.297.843.5-23.1000120.1
1078K31.8Very low31.6Very low173 Ų173146 Ų14675%0.75277%0.768SS**  trans79.1157.4159.5-64.4-173.6169.5-177.50119.1
1079H29.8Very low31.2Very low148 Ų148143.2 Ų143.269%0.68576%0.755SS**  cis-165.8-177.6-17.3-102.7-16.4000113.2
1080Y34.9Very low31Very low207 Ų207149.8 Ų149.881%0.81276%0.759SS**  trans97.4-161.5161.8-74-77.8000122.3
1081R28.8Very low30.6Very low222 Ų222152.3 Ų152.384%0.83876%0.757SS**  trans-172.4-178.3-130.8-97.5-179.1171.9-146.10.4114.5
1082P39.2Very low30.9Very low115 Ų115157 Ų15775%0.74776%0.76SS**  cis-133.8-167.4-26.939.4-20.8000114.8
1083L29.6Very low30.4Very low164 Ų164157.8 Ų157.886%0.85977%0.765SS**  trans-90.4170-179.7-54.8161.3000113.2
1084P33.4Very low30.2Very low109 Ų109157.8 Ų157.871%0.70877%0.765SS**  -159161.686.842.3-23.2000119.1
1085I28.1Very low30Very low176 Ų176159 Ų15990%0.90376%0.763SS**  trans62.9155.6152.7-63161.6000116.1
1086G26.8Very low30Very low67 Ų67154.3 Ų154.369%0.69175%0.749SS**  cis178.5175.7-800000112.3
1087I26.8Very low29.6Very low160 Ų160155.1 Ų155.182%0.82174%0.738SS**  trans-38.2144.8-174-65.1163.4000118.2
1088E25.2Very low29.3Very low162 Ų162157.9 Ų157.976%0.75774%0.735SS**  trans89.4145.7153-95.5-179.2-140.400125.4
1089N25.7Very low29.2Very low110 Ų110157.8 Ų157.859%0.58873%0.731SS**  trans57118146.3-85.3-54.3000123.9
1090R24.8Very low29.2Very low206 Ų206159 Ų15978%0.77774%0.735SS**  trans49.8134.2131.8-68.8-178.4-179.4-139.4-0.5121.6
1091R21.6Very low28.9Very low208 Ų208152.1 Ų152.179%0.78573%0.727SS**  trans65.6109.3154.2-66.4173.4169.7-178.8-5.5115.8
1092W39.5Very low28.9Very low232 Ų232148.7 Ų148.788%0.87972%0.72SS**  37.699.792.5-69.865.6000113.7
1093P28.3Very low28.4Very low115 Ų115152.6 Ų152.675%0.74772%0.72SS**  -94.7140.7118.8-19.234.1000109.6
1094I25.1Very low28.5Very low137 Ų137150.2 Ų150.270%0.70371%0.708SS**  cis69.9140.438.6-51.5167000111.2
1095R25.6Very low28.6Very low192 Ų192151.5 Ų151.573%0.72572%0.717SS**  trans84.8130-171.8-51.8-168.6168.2-120.110.6113.2
1096E29.4Very low28.6Very low99 Ų99150.3 Ų150.346%0.46371%0.707SS.*  cis-142.1131.6-7-133.985.6-104.200106.2
1097R25.8Very low28.8Very low145 Ų145154.3 Ų154.355%0.54771%0.708SS.*  40.513098.8-43.1-176-101.1168.1-11.5112.8
1098Y35.7Very low28.9Very low168 Ų168153.6 Ų153.666%0.65971%0.706SS**  cis-141.913635.7-87.1-92.9000111.4
1099Y28.9Very low29.1Very low171 Ų171153.8 Ų153.867%0.67171%0.711SS**  55.9131.195.7-79.2-93.2000114.1
1100F29.4Very low29.2Very low175 Ų175154.3 Ų154.377%0.76872%0.723SS**  cis-1351629.4-81.3-99.2000110.7
1101G28.6Very low29.5Very low62 Ų62152.2 Ų152.264%0.63973%0.726SS**  cis162.2170.6-7.800000114
1102H29.6Very low30Very low149 Ų149148.1 Ų148.169%0.6973%0.726SS**  trans69.5146.6162.3-74.4-120.4000119.9
1103R28.8Very low29.5Very low198 Ų198145.4 Ų145.475%0.74772%0.724SS**  cis-161.5167-27-127.5-167.2-162-169.24.1111.9
1104N32.1Very low29.6Very low114 Ų114146.4 Ų146.461%0.6172%0.721SS**  trans-24.7155.5172-47.50.8000119.9
1105P34.7Very low29.7Very low136 Ų136147.7 Ų147.788%0.88372%0.724SS**  trans-99.297.8144.434.5-23.6000110.8
1106H28.9Very low29.9Very low150 Ų150144.9 Ų144.969%0.69472%0.722SS**  trans-118.4141.5158.9-121.7-83.8000108.2
1107E30.2Very low30Very low152 Ų152146.9 Ų146.971%0.7174%0.741SS**SBendtrans-3.3109.9167.9-64.4154.3118.600119.2
1108N29Very low30Very low145 Ų145150.7 Ų150.778%0.77576%0.756SS**  trans67.8134.5135.1-65.8-36.7000122.3
1109L28.6Very low29.6Very low166 Ų166149.7 Ų149.787%0.86976%0.762SS**  trans82.8127.6158.8-64.3164.4000119.8
1110S28.2Very low29.5Very low120 Ų120146.4 Ų146.484%0.83976%0.764SS**  trans84.9120.4156.5-48.20000119.8
1111L31.3Very low29.6Very low163 Ų163143.4 Ų143.485%0.85376%0.764SS**  trans-79.8157.5164.1-68.4163.7000110
1112P32.9Very low29.5Very low121 Ų121148.3 Ų148.379%0.78678%0.775SS**  -137.7-17065.721.83.1000114
1113E27.7Very low29.5Very low175 Ų175146.2 Ų146.282%0.81878%0.778SS**  cis-176.6-166.3-41.5-172.6150.2-171.100107.4
1114I30.5Very low29.6Very low137 Ų137143.9 Ų143.970%0.70378%0.78SS**  trans73.994.7169.4-58.6-178.1000114.7
1115Q28.4Very low29.6Very low164 Ų164145.6 Ų145.677%0.76679%0.789SS**  72.2150.4100.1-67.8179.515.100115.6
1116I28.6Very low29.3Very low133 Ų133145.7 Ų145.768%0.68278%0.778SS**  cis-155.2138.4-9.2-114.1162.6000109.4
1117T32.5Very low30.1Very low140 Ų140144 Ų14486%0.85978%0.78SS**  trans-175.8159.4131.317.60000109.6
1118R24.7Very low30.2Very low225 Ų225142.2 Ų142.285%0.84977%0.772SS**  trans-128.9-175.3-172.5-66.1176.5166.9160.1-6.4110.3
1119N28.3Very low30.3Very low148 Ų148142.8 Ų142.879%0.79177%0.767SS**  trans87.6140.2157.3-57.4-10.3000114.9
1120S27.3Very low30.5Very low101 Ų101143 Ų14371%0.70676%0.764SS**  cis-167-169.7-6.347.60000111.7
1121S31.1Very low30.6Very low112 Ų112140.7 Ų140.778%0.78375%0.752SS**  trans92.986.1149.7-48.10000117.6
1122L27Very low30.6Very low165 Ų165139.6 Ų139.686%0.86475%0.747SS**  trans-85.6158.3141.7-97.4161.9000109.5
1123S29.2Very low30.8Very low106 Ų106139.1 Ų139.174%0.74174%0.738SS**  trans53.2130149.262.70000122.2
1124D30.6Very low30.9Very low148 Ų148137.4 Ų137.479%0.79173%0.73SS**  trans-114.4147144.3-80.3-33.4000106.8
1125N32.7Very low31Very low150 Ų150141.5 Ų141.580%0.80274%0.738SS**  cis-145.5165.37-117.4-50.5000112.5
1126E27.7Very low31.2Very low139 Ų139140.6 Ų140.665%0.6573%0.734SS**  trans-92.5-157.1-175.3-132-161.414700112.2Q1128E1126-Q1128 HydrophobicContact CG-CG 4.35Å; E1126-Q1128 WeakPolarHBondContact OE1-CG 3.26Å; E1126-Q1128 WeakPolarHBondContact OE2-CG 3.37Å; E1126-Q1128 PolarHBondContact OE2-NE2 3.34Å
1127P44.6Very low31.2Very low113 Ų113141 Ų14173%0.73473%0.733SS**  cis-136.1-174.618.826.60.8000116.7
1128Q32.8Very low31.1Very low116 Ų116142.1 Ų142.154%0.54273%0.729SS.*  cis-166.3178.6-31.8-98.9169.5500110.2E1126E1126-Q1128 HydrophobicContact CG-CG 4.35Å; E1126-Q1128 WeakPolarHBondContact OE1-CG 3.26Å; E1126-Q1128 WeakPolarHBondContact OE2-CG 3.37Å; E1126-Q1128 PolarHBondContact OE2-NE2 3.34Å
1129F30.8Very low31.4Very low156 Ų156136.2 Ų136.268%0.68472%0.722SS**  trans91.687.9151.1-69.1-62.5000123.5
1130Q32.7Very low31.5Very low170 Ų170139.2 Ų139.279%0.79472%0.722SS**  65.8148.3114-76-179.40.500122
1131A32Very low31.7Very low72 Ų72144.2 Ų144.260%0.59573%0.727SS**  cis-165.11590.100000114.8
1132N31Very low31.5Very low140 Ų140143.8 Ų143.875%0.74972%0.723SS**  trans62.6153.7150.4-68.134.7000120.8
1133D35.7Very low31.5Very low111 Ų111146.6 Ų146.659%0.59472%0.724SS**  cis-155154.7-2.8-125.4-38.7000115.1
1134Q31Very low31.6Very low140 Ų140149.4 Ų149.465%0.65473%0.726SS**  trans26.1126.2155-71.6161.764.300125
1135Y31.6Very low31.7Very low223 Ų223147.5 Ų147.588%0.87572%0.716SS**  -160.6-174.499.5-118.6-92.3000111.3
1136Q32.3Very low31.6Very low144 Ų144149 Ų14967%0.67372%0.715SS**  trans-125.7156.1-142.4-87.6-165.315.400120.9
1137Q30.6Very low31.6Very low143 Ų143154.2 Ų154.267%0.66873%0.729SS**  trans75.7108.5153.5-72.4176.76200119.1
1138Q30Very low30.7Very low163 Ų163152.4 Ų152.476%0.76273%0.731SS**  73.4131.291.2-71.6-17855.700113.5
1139S30Very low31Very low100 Ų100152.4 Ų152.470%0.69974%0.741SS**  cis-170168.411.647.20000109.6
1140R30Very low30.8Very low212 Ų212150.8 Ų150.880%0.874%0.744SS**  cis-161.6-179.8-1.3-117.9176.8-153.4-171.58.9111.3
1141Y31.7Very low30.8Very low206 Ų206154.3 Ų154.381%0.80875%0.75SS**  trans-43.7170.4172.8-57.2-70.9000120.8
1142S27.8Very low30.7Very low102 Ų102156.9 Ų156.971%0.71376%0.761SS**  cis176.5161.3-32.362.70000109
1143Y26.7Very low30.8Very low224 Ų224157.5 Ų157.588%0.87876%0.762SS**  trans-151.9140.3178.1-138.3-82.7000116.6
1144Q32.3Very low30.6Very low165 Ų165162.5 Ų162.577%0.77177%0.773SS**  trans-175.2153.4164.1-106.6-170.2-63.200108.2
1145D32.1Very low30.5Very low109 Ų109160.5 Ų160.558%0.58377%0.774SS**  cis-157.8-171.2-7.5-144.9-17.3000113.5
1146F30.8Very low30.6Very low181 Ų181159.6 Ų159.679%0.79477%0.769SS**  trans-31.1120.2178.3-72-83.4000120.1
1147R26.8Very low30.5Very low249 Ų249160.8 Ų160.894%0.9477%0.772SS**  164142107.2-87.5-167-170.9-137.93.8111.6
1148G26Very low30.4Very low75 Ų75161.8 Ų161.877%0.77378%0.779SS**  trans118.2161.7162.500000116.1
1149P38.7Very low30.5Very low116 Ų116161 Ų16175%0.75378%0.78SS**  trans-118.7166.1-153.241-30.7000118.2
1150T28.2Very low30.7Very low122 Ų122161.3 Ų161.375%0.74878%0.778SS**  trans73.584.3151.341.50000122.3
1151R30.7Very low30.8Very low243 Ų243162.9 Ų162.992%0.91778%0.784SS**  70.5156.8124.8-70.4-175-176.7-123.2-0.2120.7
1152P31.6Very low30.7Very low127 Ų127163.2 Ų163.283%0.82578%0.784SS**  trans-107.6174.2-154.741.6-36000116.3
1153I31.4Very low30.8Very low152 Ų152166.2 Ų166.278%0.77979%0.786SS**  trans-134.9134.5-177.5-73.5179.3000112.3
1154R31.5Very low31Very low217 Ų217159 Ų15982%0.81978%0.78SS**  trans35.2133.1154.6-63.4172.3172.7157.4-3.4120.4
1155S30.8Very low30.9Very low97 Ų97156.2 Ų156.268%0.67878%0.779SS**  cis85.5124.628.586.80000117.7
1156R31.9Very low30.9Very low205 Ų205160.7 Ų160.777%0.77479%0.789SS**  trans152.4154151-89-172.4-69.7-177.10.3108
1157F30.6Very low30.9Very low168 Ų168158.8 Ų158.874%0.73779%0.787SS**  cis-127.8167.115.5-104.9-85.9000114.1
1158M29.1Very low31.5Very low165 Ų165152.2 Ų152.281%0.81378%0.776SS**  trans-32146.8177.4-56.1-65.317800119.6
1159D31.7Very low31.6Very low146 Ų146156.4 Ų156.478%0.78178%0.776SS**  -142-174127.1-148.9-29.4000110.1
1160T34.1Very low31Very low107 Ų107157.5 Ų157.566%0.65677%0.773SS**  trans-115117-140.146.30000117.2
1161R31.6Very low31Very low245 Ų245158.1 Ų158.193%0.92577%0.772SS**  -166.7166.6127.9-110.9160.6-84.9-153.9-2.6112.6
1162R30.6Very low31Very low213 Ų213152.3 Ų152.380%0.80476%0.763SS**  trans-149.2152.5-155.6-88-179.2173.3-137.816.8114.8
1163H30.5Very low30.8Very low164 Ų164150 Ų15076%0.75976%0.755SS**  trans69.8157.7144.2-65.8-37.9000122.8
1164G31.1Very low30.5Very low73 Ų73149 Ų14975%0.75375%0.751SS**  trans97.6103.617900000112.9
1165S30.1Very low30.4Very low106 Ų106147.6 Ų147.674%0.74175%0.751SS**  cis87.9134.46.1-147.30000118.4
1166Y30.7Very low30.3Very low203 Ų203147.2 Ų147.280%0.79675%0.748SS**  trans86.5128163.8-77.1-74.1000122.8
1167D30.9Very low30.2Very low142 Ų142142.6 Ų142.676%0.75974%0.743SS**  trans74.8153139.6-74.7-22000125.7
1168P40.4Very low30Very low110 Ų110140.2 Ų140.271%0.71474%0.743SS**  trans-111-149.4-174.344.5-32.7000112.4
1169Q27.3Very low30Very low163 Ų163143 Ų14376%0.76274%0.744SS**  trans93.8129.2163.6-86.6-168.325.500120.8
1170M26.4Very low29.9Very low140 Ų140143.3 Ų143.369%0.6974%0.741SS**  trans73.5129.3141.5-61.8-60.2176.900123.4
1171N27.6Very low29.8Very low135 Ų135144.4 Ų144.472%0.72274%0.743SS**  trans75.5140.2135.6-77.4-16.2000123.8
1172T30.7Very low30.2Very low120 Ų120138 Ų13874%0.73673%0.732SS**  trans37.7109.2146.658.80000118.7
1173A27.2Very low30.2Very low79 Ų79134.6 Ų134.665%0.65373%0.73SS**  73.3109.266.700000115.6
1174N26.2Very low30.4Very low130 Ų130137.1 Ų137.170%0.69574%0.735SS**  trans77.3150.3152-49.7-27.5000120
1175F29.6Very low30.7Very low188 Ų188138.3 Ų138.383%0.82573%0.732SS**  trans70.5146.7162.3-51.9-58.3000116.9
1176S27.8Very low31Very low89 Ų89144.2 Ų144.262%0.62274%0.738SS**  cis-158.9142.1-9.4-119.70000115.2
1177T30.1Very low31.7Very low109 Ų109138.6 Ų138.667%0.66973%0.726SS**  trans33.5111.9137.663.60000123
1178T26.4Very low31.9Very low118 Ų118137.7 Ų137.772%0.72473%0.725SS**  62.6146.3123.568.50000123.7
1179R29.2Very low31.6Very low222 Ų222138.2 Ų138.284%0.83873%0.726SS**  trans73.9146.7163.3-63.2172.9175.2171.1-0.8115.5
1180H29.6Very low32.3Very low154 Ų154135.7 Ų135.771%0.71372%0.724SS**  cis-152.3168.9-8.9-121.9-53.3000109.9
1181D31Very low32.4Very low130 Ų130133.8 Ų133.870%0.69572%0.724SS**  trans-57.2173.1165.3-41.4-92.8000112.2
1182P41.5Very low32.7Very low109 Ų109134 Ų13471%0.70873%0.726SS**  cis-156.5178.327.145.9-23.8000121.4
1183D29.9Very low32.7Very low143 Ų143132.5 Ų132.577%0.76572%0.72SS**  trans78.8159.4133.5-94.2-42.3000127.4
1184Y35.1Very low33Very low216 Ų216138.7 Ų138.785%0.84773%0.728SS**  trans87.5117.5178.2-66.7-79.9000116.9
1185S38.3Very low33.3Very low99 Ų99138.2 Ų138.269%0.69273%0.73SS**  cis-148.9143.3-2.7-59.20000109.7
1186R36.1Very low33.7Very low229 Ų229135.2 Ų135.286%0.86473%0.729SS**  72.9151.162.6-125.3-164.8-178.2-104.2-2115.1
1187P44.2Very low33.8Very low86 Ų86134.5 Ų134.556%0.55874%0.736SS**  -122.6-175.8-50.524.5-1.2000113.1
1188V34.8Very low34.3Very low122 Ų122134.8 Ų134.874%0.73974%0.74SS**  167129.591.9157.70000106.8
1189V35.1Very low34.7Very low122 Ų122138.1 Ų138.174%0.73974%0.744SS**  cis83.1134.446.1170.10000113.3
1190P40.6Very low34.8Very low109 Ų109137.9 Ų137.971%0.70874%0.744SS**  cis-141-166.2-22.941.7-20.8000115.7
1191S30.1Very low35Very low100 Ų100136.2 Ų136.270%0.69975%0.746SS**  trans27.1145.8139.1-70.70000123.1
1192D32.5Very low35Very low140 Ų140138.6 Ų138.675%0.74975%0.751SS**  cis-172.2-172.75.2-123.1-80.9000109.1
1193S30.7Very low34.3Very low89 Ų89141.7 Ų141.762%0.62276%0.756SS**  cis-163.1-135.32.550.50000110.8
1194Y33.4Very low34.3Very low208 Ų208145 Ų14582%0.81676%0.763SS**  trans72.981.8167.8-84.7-86.7000123.2
1195T34.2Very low33.9Very low120 Ų120141.6 Ų141.674%0.73676%0.76SS**  64.2175.5127.5-6.60000120.3
1196P37.7Very low33.6Very low125 Ų125144 Ų14481%0.81276%0.762SS**  -126.2164.4-110.243.5-27.7000117.7
1197G28.8Very low33.7Very low74 Ų74138.7 Ų138.776%0.76376%0.757SS**  trans-175.7147.5167.100000114.6
1198P42.1Very low33Very low116 Ų116139.1 Ų139.175%0.75376%0.762SS**  trans-119.7150.8-167.439.9-29.9000116.9
1199K33.6Very low33.2Very low187 Ų187139.2 Ų139.281%0.81377%0.765SS**  179125.1120.6-96154.4-171.9171.90115.2
1200R31.1Very low33Very low218 Ų218137.7 Ų137.782%0.82377%0.765SS**  trans61.1108.7145.9-58.7-179.5-177.1-134.1-0.1120.7
1201P33.6Very low32.5Very low119 Ų119137.9 Ų137.977%0.77377%0.77SS**  trans-117.8157.5137.537.8-29.9000112.4
1202F31.8Very low32.6Very low180 Ų180136.6 Ų136.679%0.78977%0.772SS**  trans-149.8131.3157-71.7-71.8000106.1
1203H27Very low33Very low174 Ų174136.3 Ų136.381%0.80678%0.777SS**  cis-129.9157.122.9-81.2-100.7000113.8
1204F29.6Very low32.9Very low212 Ų212140.1 Ų140.193%0.9379%0.788SS**  trans-139.6171.5158.9-117.3-88.8000109.3
1205N26.4Very low33.2Very low145 Ų145134.7 Ų134.778%0.77578%0.778SS**  trans-146.5171.2-172.7-152.8-0.7000110.9
1206M31.3Very low33.1Very low149 Ų149136.8 Ų136.873%0.73478%0.779SS**  trans71.3163.9177.6-62.8-97.584.400115.9
1207P39.2Very low32.7Very low118 Ų118138.1 Ų138.177%0.76677%0.774SS**  cis-128.9178.96.635.7-15.5000117.6
1208S30.1Very low32.5Very low94 Ų94142 Ų14266%0.65777%0.773SS**  trans-57.3178.4166.8-44.30000113.9
1209P38.7Very low32Very low125 Ų125147.4 Ų147.481%0.81278%0.779SS**  cis-147.4-164.319.145.4-24.3000117.9
1210A29.8Very low31.6Very low89 Ų89149.4 Ų149.474%0.73678%0.782SS**  trans109129.1156.300000118.9
1211S30.8Very low32.3Very low114 Ų114143.1 Ų143.180%0.79777%0.769SS**  trans20.6124.9154.952.40000121.4
1212G31.4Very low32.8Very low72 Ų72142.7 Ų142.774%0.74277%0.767SS**  trans-73.6-177154.800000113.1
1213P41.2Very low32.9Very low134 Ų134142.9 Ų142.987%0.8777%0.767SS**  cis-131.4-17132.542-26000116.5
1214M28.2Very low33.2Very low170 Ų170140.2 Ų140.284%0.83776%0.759SS**  trans-61.4175.2169.5-82.4176.565.600114.9
1215P41.4Very low33.5Very low94 Ų94137.8 Ų137.861%0.6175%0.751SS**  cis-139.4-173.1-8.122.93.4000116.6
1216Q32.3Very low33.9Very low164 Ų164136.6 Ų136.677%0.76675%0.748SS**  trans105128.6146.3-54.3-161.4400120.7
1217H28.6Very low34Very low152 Ų152134.6 Ų134.670%0.70474%0.741SS**  trans48.5140.6135.8-76.1-102.9000121.1
1218E24.1Very low33.8Very low156 Ų156135.7 Ų135.773%0.72974%0.739SS**  cis-164.2-163.8-1.6-173150.8-163.600110.1
1219Y31Very low33.9Very low229 Ų229139.6 Ų139.690%0.89874%0.744SS**  trans93.7138.5176.2-73-89.1000118.7
1220R26.5Very low33.6Very low230 Ų230139.2 Ų139.287%0.86874%0.744SS**  trans-166-164.4-165.3-155.2-156.9168.4-175.2-1.7109.5
1221P46Very low33.6Very low85 Ų85141.6 Ų141.655%0.55275%0.754SS**  -96.8-153-108.641-23.5000114
1222P44.5Very low33.5Very low111 Ų111147.7 Ų147.772%0.72176%0.759SS**  -120.3-125.912936.4-29.1000113.4
1223F32.9Very low33.2Very low183 Ų183149.9 Ų149.980%0.80376%0.763SS**  trans-132.6177.5-151.2-77.7-77.4000112.6
1224N32.9Very low32.6Very low119 Ų119147.4 Ų147.464%0.63676%0.762SS**  cis-158.9145.128.5-139.4-13.7000113.6
1225Q37Very low32.7Very low161 Ų161145.6 Ų145.675%0.75276%0.756SS**  trans59.7139.5151.7-76.5167.55100120.1
1226V35Very low32.3Very low119 Ų119149.4 Ų149.472%0.72177%0.765SS**  cis-141.6124.50.2-175.80000106.9
1227N31.8Very low32.2Very low107 Ų107145.4 Ų145.457%0.57277%0.768SS**  57.8140.688-127.716.7000114K1229N1227-K1229 WeakPolarHBondContact OD1-CD 3.39Å; N1227-K1229 WeakPolarHBondContact OD1-CE 3.4Å; N1227-K1229 PolarHBondContact OD1-NZ 2.95Å
1228I36Very low32Very low142 Ų142144.2 Ų144.273%0.72878%0.777SS**  cis-141.1115.116.4-64.9171.7000106.8
1229K31.2Very low32.2Very low176 Ų176140.4 Ų140.477%0.76578%0.78SS**  70.2127.479.5-67.9177.4-179.8171.90116.9N1227N1227-K1229 WeakPolarHBondContact OD1-CD 3.39Å; N1227-K1229 WeakPolarHBondContact OD1-CE 3.4Å; N1227-K1229 PolarHBondContact OD1-NZ 2.95Å
1230S33.2Very low32.2Very low117 Ų117136.9 Ų136.982%0.81878%0.775SS**  trans-99.5154153.559.50000110.2
1231C30.3Very low32.3Very low139 Ų139135.3 Ų135.394%0.93977%0.77SS**  trans-157.4148162.1-115.50000111.1
1232R27.7Very low31.5Very low241 Ų241139.2 Ų139.291%0.90978%0.78SS**  trans-85.1147.4-172-57.6162.9173.1166.2-5.8112.3
1233S25.4Very low30.9Very low119 Ų119138.7 Ų138.783%0.83278%0.779SS**  161.6145110.150.20000112.4
1234G28Very low30.7Very low81 Ų81136 Ų13684%0.83578%0.778SS**  trans76.5134-166.900000111.6
1235D31.1Very low30.4Very low132 Ų132136.3 Ų136.371%0.70678%0.783SS**  cis-146.1153.311.1-175.527.8000110.3
1236Q33.1Very low29.9Very low174 Ų174133.4 Ų133.481%0.81378%0.781SS**  trans54.8144.1172.8-31.2-168.216.700118.2
1237G30.7Very low29.6Very low80 Ų80135 Ų13583%0.82578%0.781SS**  cis171.2126.3-7.900000109.8
1238S24.1Very low29.4Very low128 Ų128139 Ų13990%0.89579%0.789SS**  trans-132.3130.6175.255.70000111.2
1239G26.7Very low28.8Very low76 Ų76137.3 Ų137.378%0.78479%0.79SS**  trans92.386.6172.700000115.8
1240L31.9Very low28.5Very low154 Ų154140.5 Ų140.581%0.80680%0.797SS**  trans-154.2109.2142.7-110.3172.9000112.2
1241R28.3Very low28.5Very low198 Ų198140.4 Ų140.475%0.74779%0.794SS**  trans67.3137.3151.8-78.2172.1-175.4-107.4-4.3122.6
1242Q29.9Very low28.2Very low167 Ų167139 Ų13978%0.7879%0.785SS**  trans75.3132146.9-72.2156.6-25.400117.1
1243S30.7Very low28.3Very low100 Ų100136.9 Ų136.970%0.69978%0.783SS**  cis-152.2158.72.865.20000113.9
1244V30.1Very low28.3Very low126 Ų126135.6 Ų135.676%0.76477%0.774SS**  trans24.9125.9164.1-65.70000120.6
1245V26.7Very low28.1Very low125 Ų125140.5 Ų140.576%0.75877%0.773SS**  cis83.3110.549174.60000114.3
1246S25.9Very low27.9Very low101 Ų101140.5 Ų140.571%0.70677%0.771SS**  trans70.6162.8156.778.80000116.8
1247Q28.1Very low27.5Very low152 Ų152139.8 Ų139.871%0.7177%0.768SS**  cis-136.3-17915-80.5-1687.300114.4
1248Y27.6Very low27.1Very low191 Ų191142.6 Ų142.675%0.74976%0.764SS**  trans-14.9137.7169.8-46.5-66.6000118.4
1249S24.7Very low27.1Very low106 Ų106144.4 Ų144.474%0.74176%0.758SS**  cis65.1105.443-64.50000116.9
1250R24.8Very low26.9Very low244 Ų244149.3 Ų149.392%0.92176%0.761SS**  trans69.8168.5153.4-69.3-178.3171.3-160.6-2117.6
1251P32.7Very low26.6Very low115 Ų115150.1 Ų150.175%0.74776%0.76SS**  cis-130.1170.1-14.6212.4000116.4
1252S25Very low26.4Very low109 Ų109152.8 Ų152.876%0.76277%0.772SS**  trans-33.1150.2159-32.10000118.8
1253K28.3Very low26.1Very low196 Ų196148 Ų14885%0.85277%0.768SS**  -176.4104.2105.9-98.3176.8-178.4-175.90115.3
1254S25.9Very low25.8Very low93 Ų93152.7 Ų152.765%0.6577%0.77SS**  trans10.1133.2130.359.10000121.5
1255F24.6Very low25.7Very low184 Ų184154.6 Ų154.681%0.80778%0.776SS**  179.5150.8105.1-117.3-108.3000113.9
1256I26.2Very low25.7Very low131 Ų131157.2 Ų157.267%0.67278%0.78SS**  trans51.5100158-75.9171.5000120.8
1257Q24.3Very low25.7Very low159 Ų159161.7 Ų161.774%0.74378%0.782SS**  40.1108.3104.8-180-174.90.300119.3
1258N22.9Very low25.7Very low140 Ų140160.7 Ų160.775%0.74978%0.781SS**  -162.3-169.5114.5-117.64.4000113.1
1259E23Very low25.8Very low166 Ų166158.8 Ų158.878%0.77678%0.782SS**  trans-82.5-177.5-162-57.2171.1106.100116.3
1260Q23.6Very low26Very low179 Ų179159.9 Ų159.984%0.83678%0.78SS**  trans89.1159.3164.2-49.5-170.816.100118.1
1261Q24.8Very low26.3Very low171 Ų171153 Ų15380%0.79976%0.761SS**  trans60.881.8179.3-58.5-1690.700118.1
1262Y24.8Very low26.3Very low253 Ų253153.4 Ų153.499%0.99276%0.757SS**  trans-102.196.3136.9-99.8-91.5000108.1
1263G23.5Very low26.7Very low67 Ų67155.6 Ų155.669%0.69175%0.75SS**  trans-145.913.5-165.900000116
1264R24.8Very low26.9Very low198 Ų198148.4 Ų148.475%0.74772%0.724SS**  trans-166117.3165.6-116.7174.1-177.3-174.11.1112.4
1265N28.7Very low27.1Very low166 Ų166148 Ų14889%0.88872%0.722SS**  trans-15858.9148.4-106.1-17.6000109.8R1267N1265-R1267 PolarHBondContact O-N 3.07Å; N1265-R1267 VanDerWaalsContact O-N 3.15Å
1266Q26.3Very low27.8Very low180 Ų180149 Ų14984%0.84172%0.72SS**  trans-74.896167.7-75.6177.5-28.900109.4
1267R24.9Very low28.3Very low196 Ų196146.2 Ų146.274%0.7471%0.706SS**SBendtrans-169.6125.6156.8-103.7149.4-169.8-176.32.9110.3N1265N1265-R1267 PolarHBondContact O-N 3.07Å; N1265-R1267 VanDerWaalsContact O-N 3.15Å
1268N27.9Very low28.6Very low131 Ų131143.6 Ų143.670%0.70171%0.705SS**  trans48.479.9167.3-61.426.5000117
1269I30Very low29Very low151 Ų151143.3 Ų143.377%0.77470%0.699SS**  trans-129.460.1150.2-48-179.5000108
1270N28.9Very low29.4Very low129 Ų129142.2 Ų142.269%0.6970%0.698SS**  trans-109.3-2.4171.2-75.828.5000111.9S1274N1270-S1274 WeakPolarHBondContact O-CB 3.49Å; N1270-S1274 PolarHBondContact O-OG 3.47Å
1271D30.8Very low30.5Very low99 Ų99140.9 Ų140.953%0.52969%0.692SS.*Hα-helixtrans-91.3-25.1-162.2-64.2-59.1000114.4S1275D1271-S1275 WeakPolarHBondContact O-CB 3.33Å; D1271-S1275 PolarHBondContact O-N 3.31Å; D1271-S1275 PolarHBondContact O-OG 2.76Å
1272D32.5Very low31.8Very low124 Ų124136.1 Ų136.166%0.66367%0.671SS**Hα-helixtrans-77.9-26.3-173-100.3-41.4000114.8S1275D1272-S1275 PolarHBondContact O-OG 3.05Å
1273Y34.9Very low33.2Very low155 Ų155130.9 Ų130.961%0.60865%0.654SS**Hα-helixtrans-87.9-40.7165.7-92.7-82.1000111.9S1275 R1276Y1273-S1275 VanDerWaalsContact C-N 3.3Å; Y1273-S1275 PolarHBondContact O-N 2.85Å; Y1273-R1276 PolarHBondContact O-N 3.06Å
1274S31.2Very low35.5Very low45 Ų45131.1 Ų131.132%0.31564%0.643SS.*Hα-helixtrans-63-31.4179.1-66.30000113.8N1270 R1276 I1277N1270-S1274 WeakPolarHBondContact O-CB 3.49Å; N1270-S1274 PolarHBondContact O-OG 3.47Å; S1274-R1276 VanDerWaalsContact C-N 3.27Å; S1274-R1276 PolarHBondContact O-N 3.35Å; S1274-I1277 VanDerWaalsContact O-O 3.09Å
1275S31.8Very low37.9Very low85 Ų85126.3 Ų126.359%0.59463%0.631SS**THydrogen-bonded Turntrans-72.2-14.4179.758.80000114.5D1271 D1272 Y1273D1271-S1275 WeakPolarHBondContact O-CB 3.33Å; D1271-S1275 PolarHBondContact O-N 3.31Å; D1271-S1275 PolarHBondContact O-OG 2.76Å; D1272-S1275 PolarHBondContact O-OG 3.05Å; Y1273-S1275 VanDerWaalsContact C-N 3.3Å; Y1273-S1275 PolarHBondContact O-N 2.85Å
1276R38Very low40.7Very low205 Ų205121 Ų12177%0.77460%0.601SS**THydrogen-bonded Turntrans-85.8-16.6179.9-63.2-170.6-175-166.43.9114.1Y1273 S1274Y1273-R1276 PolarHBondContact O-N 3.06Å; S1274-R1276 VanDerWaalsContact C-N 3.27Å; S1274-R1276 PolarHBondContact O-N 3.35Å
1277I37.7Very low43.6Very low72 Ų72115.5 Ų115.537%0.36958%0.579SS.*SBendtrans-123.2112.5174.3-52.4177.3000108.8S1274 H1279 L1282 T1322S1274-I1277 VanDerWaalsContact O-O 3.09Å; I1277-H1279 PolarHBondContact O-N 3.12Å; I1277-H1279 VanDerWaalsContact O-N 3.12Å; I1277-H1279 PolarHBondContact O-ND1 3.46Å; I1277-L1282 HydrophobicContact CG2-CD1 4.07Å; I1277-L1282 HydrophobicContact CG2-CD2 4.16Å; I1277-L1282 HydrophobicContact CG2-CG 4.22Å; I1277-T1322 HydrophobicContact CD1-CG2 4.12Å
1278S29.3Very low46.8Very low103 Ų103106.2 Ų106.272%0.7254%0.544SS*.  trans-49.5119.6-178.6-174.40000111.5N1280S1278-N1280 PolarHBondContact O-N 2.98Å
1279H31.5Very low49.9Very low135 Ų135101.6 Ų101.663%0.62552%0.521SS*.SBendtrans-70.574.6178.5-78.40.3000112.2I1277I1277-H1279 PolarHBondContact O-N 3.12Å; I1277-H1279 VanDerWaalsContact O-N 3.12Å; I1277-H1279 PolarHBondContact O-ND1 3.46Å
1280N31.7Very low52.9Low143 Ų14394.5 Ų94.577%0.76549%0.485SS*.SBendtrans-156.4128.2157.4-88.8-50.1000109.5S1278S1278-N1280 PolarHBondContact O-N 2.98Å
1281E46Very low55.6Low151 Ų15191.7 Ų91.771%0.70647%0.47SS*.  trans57.842.8171.8-57.1-153.5176.800119.8K1283E1281-K1283 PolarHBondContact O-N 3.28Å; E1281-K1283 WeakPolarHBondContact OE2-CE 3.18Å; E1281-K1283 IonicContact OE2-NZ 3.6Å; E1281-K1283 PolarHBondContact OE2-NZ 3.43Å
1282L52.2Low58.4Low70 Ų7093.5 Ų93.537%0.36647%0.47SS..  trans-68.198151.8-75.6-174.6000109.5I1277 L1321I1277-L1282 HydrophobicContact CG2-CD1 4.07Å; I1277-L1282 HydrophobicContact CG2-CD2 4.16Å; I1277-L1282 HydrophobicContact CG2-CG 4.22Å; L1282-L1321 HydrophobicContact CD1-CB 4.42Å
1283K55.5Low61.1Low144 Ų14491.9 Ų91.963%0.62646%0.461SS*.  trans-75.7138.5168.8-72.8168.1-176.4137.40108.8E1281 I1285E1281-K1283 PolarHBondContact O-N 3.28Å; E1281-K1283 WeakPolarHBondContact OE2-CE 3.18Å; E1281-K1283 IonicContact OE2-NZ 3.6Å; E1281-K1283 PolarHBondContact OE2-NZ 3.43Å; K1283-I1285 PolarHBondContact O-N 3.45Å
1284P70.9Confident63.8Low71 Ų7185 Ų8546%0.46143%0.434SS..  trans-61.8125.9176.527-34.2000109.6K1319 I1320 L1321P1284-K1319 HydrophobicContact CB-CB 4.08Å; P1284-I1320 CarbonylContact C-O 3.55Å; P1284-I1320 VanDerWaalsContact CA-O 3.28Å; P1284-I1320 WeakPolarHBondContact CA-O 3.4Å; P1284-L1321 HydrophobicContact CB-CD2 4.35Å
1285I76.1Confident66.6Low98 Ų9885.7 Ų85.750%0.50343%0.434SS..  trans-71.3-44.1-177.3-58.9-178.9000109.4K1283 I1320 T1322 E1323K1283-I1285 PolarHBondContact O-N 3.45Å; I1285-I1320 PolarHBondContact N-O 3.5Å; I1285-T1322 VanDerWaalsContact CD1-C 3.44Å; I1285-E1323 HydrophobicContact CD1-CG 4.16Å
1286Q86Confident69.1Low55 Ų5582 Ų8226%0.25741%0.408SS..EExtended strand (participates in β ladder)trans-152.8170.2173.861.2-175.70.900112.4V1288 I1320 E1348Q1286-V1288 HydrophobicContact CG-CG1 4.14Å; Q1286-I1320 HydrophobicContact CG-CB 4.02Å; Q1286-I1320 HydrophobicContact CG-CG1 4.2Å; Q1286-I1320 HydrophobicContact CG-CG2 4.48Å; Q1286-I1320 PolarHBondContact O-N 3.49Å; Q1286-E1348 PolarHBondContact NE2-OE1 3.19Å; Q1286-E1348 PolarHBondContact OE1-OE1 3.13Å
1287V88Confident71.2Confident63 Ų6377 Ų7738%0.38240%0.401SS..EExtended strand (participates in β ladder)trans-111.1124.9166.7-177.10000107.5L1317 I1318 L1349V1287-L1317 HydrophobicContact CG1-CB 4.11Å; V1287-L1317 HydrophobicContact CG1-CD2 4.37Å; V1287-I1318 WeakPolarHBondContact CA-O 3.4Å; V1287-L1349 HydrophobicContact CB-CD1 4.46Å; V1287-L1349 HydrophobicContact CG1-CD1 4.13Å
1288V92.4Very high73.3Confident1 Ų178.7 Ų78.71%0.00641%0.414CS..EExtended strand (participates in β ladder)trans-107.7160.3174.9-60.70000109.8Q1286 I1318 I1320 V1346 S1347 E1348Q1286-V1288 HydrophobicContact CG-CG1 4.14Å; V1288-I1318 HydrophobicContact CG2-CB 3.88Å; V1288-I1318 HydrophobicContact CG2-CG2 4.46Å; V1288-I1318 PolarHBondContact N-O 2.99Å; V1288-I1318 PolarHBondContact O-N 3.46Å; V1288-I1320 HydrophobicContact CB-CG1 4.41Å; V1288-I1320 HydrophobicContact CG1-CG1 3.78Å; V1288-I1320 HydrophobicContact CG2-CD1 3.74Å; V1288-I1320 HydrophobicContact CG2-CG1 3.78Å; V1288-V1346 HydrophobicContact CB-CB 4Å; V1288-V1346 HydrophobicContact CB-CG2 4.42Å; V1288-V1346 HydrophobicContact CG2-CB 3.63Å; V1288-V1346 HydrophobicContact CG2-CG1 3.8Å; V1288-V1346 HydrophobicContact CG2-CG2 4.03Å; V1288-S1347 CarbonylContact C-O 3.51Å; V1288-S1347 VanDerWaalsContact CA-O 3.28Å; V1288-S1347 WeakPolarHBondContact CA-O 3.24Å; V1288-S1347 VanDerWaalsContact CB-O 3.3Å; V1288-S1347 WeakPolarHBondContact CB-O 3.35Å; V1288-E1348 HydrophobicContact CG1-CG 4.44Å
1289V91.7Very high75.8Confident35 Ų3578.3 Ų78.321%0.21240%0.402CS..EExtended strand (participates in β ladder)trans-105.6135.7169650000109.3L1317 V1346 S1347 L1349V1289-L1317 HydrophobicContact CB-CD2 4.15Å; V1289-L1317 HydrophobicContact CG2-CD2 4.28Å; V1289-V1346 CarbonylContact O-C 3.48Å; V1289-V1346 WeakPolarHBondContact O-CA 3.48Å; V1289-S1347 PolarHBondContact N-O 3.02Å; V1289-S1347 PolarHBondContact O-N 2.95Å; V1289-L1349 HydrophobicContact CB-CD2 4.33Å; V1289-L1349 HydrophobicContact CG1-CD2 4.24Å
1290A93Very high78.2Confident2 Ų272.8 Ų72.82%0.01738%0.379CS..EExtended strand (participates in β ladder)trans-67.3133.3171.500000110.8F1312 R1313 G1315 Q1316 I1318 M1345A1290-F1312 HydrophobicContact CB-CD2 3.48Å; A1290-F1312 VanDerWaalsContact CB-CD2 3.48Å; A1290-F1312 HydrophobicContact CB-CE2 3.78Å; A1290-F1312 HydrophobicContact CB-CG 4.46Å; A1290-R1313 WeakPolarHBondContact CB-O 3.29Å; A1290-G1315 PolarHBondContact O-N 3.27Å; A1290-Q1316 PolarHBondContact N-O 3.03Å; A1290-I1318 HydrophobicContact CB-CD1 4.24Å; A1290-M1345 WeakPolarHBondContact CA-O 3.38Å
1291L87.6Confident80.1Confident70 Ų7071.9 Ų71.937%0.36638%0.381SS..SBendtrans-86.8-20.4179.1-70177.4000113.3M1345L1291-M1345 PolarHBondContact N-O 3.38Å
1292Y89.6Confident81.3Confident137 Ų13768.5 Ų68.554%0.53737%0.368SS..SBendtrans-148.4163.8-176.2-52.5-71.1000109.8E1314 M1345Y1292-E1314 PolarHBondContact O-N 3.32Å; Y1292-M1345 HydrophobicContact CD2-SD 3.84Å
1293D89.2Confident82.1Confident89 Ų8973.1 Ų73.148%0.47639%0.391SS..  trans-63.3140.7163.8-853.6000110.5M1299 R1313 E1314D1293-M1299 WeakPolarHBondContact O-CE 3.42Å; D1293-R1313 WeakPolarHBondContact OD1-CA 3.48Å; D1293-R1313 WeakPolarHBondContact OD1-CB 3.48Å; D1293-R1313 WeakPolarHBondContact OD1-CG 3.47Å; D1293-E1314 PolarHBondContact OD1-N 3.47Å
1294Y91Very high83.1Confident12 Ų1269.8 Ų69.85%0.04738%0.38CS..BIsolated β-bridgetrans-135.3115.6176-160.7-110.7000112.5P1296 M1299 E1309 P1311 F1312 P1342 M1345Y1294-P1296 HydrophobicContact CD1-CG 4.07Å; Y1294-P1296 HydrophobicContact CE1-CB 4.39Å; Y1294-P1296 HydrophobicContact CE1-CG 3.85Å; Y1294-M1299 HydrophobicContact CD2-CE 3.8Å; Y1294-M1299 HydrophobicContact CE2-CB 4.02Å; Y1294-M1299 HydrophobicContact CE2-CE 4.33Å; Y1294-E1309 PolarHBondContact OH-OE2 3.31Å; Y1294-P1311 VanDerWaalsContact O-CA 3.31Å; Y1294-P1311 WeakPolarHBondContact O-CA 3.37Å; Y1294-F1312 VanDerWaalsContact CB-CZ 3.43Å; Y1294-F1312 AromaticContact CD1-CE1 3.92Å; Y1294-F1312 HydrophobicContact CD1-CE1 3.92Å; Y1294-F1312 HydrophobicContact CD1-CZ 4.04Å; Y1294-F1312 HydrophobicContact CG-CE1 4.16Å; Y1294-F1312 HydrophobicContact CG-CE2 4.27Å; Y1294-F1312 AromaticContact CG-CZ 3.85Å; Y1294-F1312 HydrophobicContact CG-CZ 3.85Å; Y1294-F1312 PolarHBondContact N-O 3.43Å; Y1294-F1312 PolarHBondContact O-N 2.9Å; Y1294-F1312 VanDerWaalsContact O-O 3.11Å; Y1294-P1342 HydrophobicContact CD1-CG 4.21Å; Y1294-P1342 HydrophobicContact CE1-CG 3.63Å; Y1294-P1342 HydrophobicContact CE2-CG 4.14Å; Y1294-M1345 HydrophobicContact CD2-CE 3.96Å; Y1294-M1345 HydrophobicContact CD2-CG 3.99Å; Y1294-M1345 HydrophobicContact CD2-SD 4.27Å; Y1294-M1345 HydrophobicContact CE2-CE 3.94Å; Y1294-M1345 HydrophobicContact CE2-CG 4.37Å
1295D89.6Confident83.4Confident58 Ų5866.4 Ų66.431%0.3136%0.359SS..  trans-119.1106.1172.4166.923.8000109.1T1297 T1298 M1299D1295-T1297 VanDerWaalsContact CG-OG1 3.23Å; D1295-T1297 PolarHBondContact O-N 3.46Å; D1295-T1297 VanDerWaalsContact O-N 3.14Å; D1295-T1297 WeakPolarHBondContact OD1-CB 3.1Å; D1295-T1297 WeakPolarHBondContact OD1-CG2 2.89Å; D1295-T1297 PolarHBondContact OD1-N 2.92Å; D1295-T1297 PolarHBondContact OD1-OG1 3.26Å; D1295-T1297 PolarHBondContact OD2-OG1 3.19Å; D1295-T1298 VanDerWaalsContact CG-OG1 3.29Å; D1295-T1298 PolarHBondContact O-N 3.21Å; D1295-T1298 PolarHBondContact O-OG1 3.17Å; D1295-T1298 WeakPolarHBondContact OD2-CB 3.46Å; D1295-T1298 VanDerWaalsContact OD2-CG2 3.32Å; D1295-T1298 WeakPolarHBondContact OD2-CG2 3.23Å; D1295-T1298 PolarHBondContact OD2-OG1 2.91Å; D1295-M1299 WeakPolarHBondContact O-CB 3.33Å; D1295-M1299 PolarHBondContact O-N 3.05Å
1296P85.1Confident83.6Confident7 Ų764.2 Ų64.25%0.04536%0.355CS..Hα-helixtrans-61.5-20.6179-22.432.3000114.2Y1294 T1298 S1300 G1305 E1309Y1294-P1296 HydrophobicContact CD1-CG 4.07Å; Y1294-P1296 HydrophobicContact CE1-CB 4.39Å; Y1294-P1296 HydrophobicContact CE1-CG 3.85Å; P1296-T1298 VanDerWaalsContact C-N 3.3Å; P1296-T1298 PolarHBondContact O-N 3Å; P1296-S1300 VanDerWaalsContact O-CB 3.26Å; P1296-S1300 WeakPolarHBondContact O-CB 3.34Å; P1296-S1300 PolarHBondContact O-N 2.91Å; P1296-G1305 WeakPolarHBondContact CB-O 3.38Å; P1296-E1309 HydrophobicContact CB-CB 3.91Å; P1296-E1309 HydrophobicContact CG-CB 3.74Å
1297T81.2Confident83.2Confident102 Ų10269.3 Ų69.363%0.62638%0.379SS*.Hα-helixtrans-73.7-22.4-18074.60000113.2D1295 A1306D1295-T1297 VanDerWaalsContact CG-OG1 3.23Å; D1295-T1297 PolarHBondContact O-N 3.46Å; D1295-T1297 VanDerWaalsContact O-N 3.14Å; D1295-T1297 WeakPolarHBondContact OD1-CB 3.1Å; D1295-T1297 WeakPolarHBondContact OD1-CG2 2.89Å; D1295-T1297 PolarHBondContact OD1-N 2.92Å; D1295-T1297 PolarHBondContact OD1-OG1 3.26Å; D1295-T1297 PolarHBondContact OD2-OG1 3.19Å; T1297-A1306 HydrophobicContact CG2-CB 3.84Å
1298T82.9Confident83.1Confident106 Ų10670.2 Ų70.265%0.6538%0.379SS*.Hα-helixtrans-118.6-20.4-179.455.10000113.6D1295 P1296D1295-T1298 VanDerWaalsContact CG-OG1 3.29Å; D1295-T1298 PolarHBondContact O-N 3.21Å; D1295-T1298 PolarHBondContact O-OG1 3.17Å; D1295-T1298 WeakPolarHBondContact OD2-CB 3.46Å; D1295-T1298 VanDerWaalsContact OD2-CG2 3.32Å; D1295-T1298 WeakPolarHBondContact OD2-CG2 3.23Å; D1295-T1298 PolarHBondContact OD2-OG1 2.91Å; P1296-T1298 VanDerWaalsContact C-N 3.3Å; P1296-T1298 PolarHBondContact O-N 3Å
1299M81.4Confident83.1Confident95 Ų9570.7 Ų70.747%0.46838%0.381SS..Hα-helixtrans-123.4-5.9-173.7-56.7-149.7-63.200115.9D1293 Y1294 D1295D1293-M1299 WeakPolarHBondContact O-CE 3.42Å; Y1294-M1299 HydrophobicContact CD2-CE 3.8Å; Y1294-M1299 HydrophobicContact CE2-CB 4.02Å; Y1294-M1299 HydrophobicContact CE2-CE 4.33Å; D1295-M1299 WeakPolarHBondContact O-CB 3.33Å; D1295-M1299 PolarHBondContact O-N 3.05Å
1300S81.9Confident83Confident20 Ų2069.2 Ų69.214%0.1437%0.372CS..  trans-79.9135.4166.4-177.60000110.4P1296 N1302 E1309P1296-S1300 VanDerWaalsContact O-CB 3.26Å; P1296-S1300 WeakPolarHBondContact O-CB 3.34Å; P1296-S1300 PolarHBondContact O-N 2.91Å; S1300-N1302 WeakPolarHBondContact OG-CB 3.31Å; S1300-N1302 PolarHBondContact OG-N 3.35Å; S1300-N1302 VanDerWaalsContact OG-N 3.08Å; S1300-E1309 WeakPolarHBondContact CB-OE1 3.4Å; S1300-E1309 WeakPolarHBondContact CB-OE2 3.47Å; S1300-E1309 VanDerWaalsContact OG-CD 3.3Å; S1300-E1309 PolarHBondContact OG-OE1 2.91Å; S1300-E1309 PolarHBondContact OG-OE2 3.34Å
1301P71.8Confident82.9Confident123 Ų12372.3 Ų72.380%0.79939%0.392SS*.SBendtrans-76.8-8.7169.233.6-35.7000113
1302N71.1Confident83.2Confident81 Ų8169.4 Ų69.443%0.43338%0.377SS..SBendtrans-85.1137.2178.3-68-29.7000110.7S1300 D1304 G1305 E1309S1300-N1302 WeakPolarHBondContact OG-CB 3.31Å; S1300-N1302 PolarHBondContact OG-N 3.35Å; S1300-N1302 VanDerWaalsContact OG-N 3.08Å; N1302-D1304 PolarHBondContact O-N 3.43Å; N1302-G1305 PolarHBondContact O-N 3.46Å; N1302-E1309 PolarHBondContact ND2-OE1 3.1Å
1303I68Low83.1Confident166 Ų16671.3 Ų71.385%0.85138%0.383SS*.THydrogen-bonded Turntrans-70.4-15.4-176.7-158.8167.2000113.1
1304D76.4Confident83.1Confident74 Ų7473.5 Ų73.540%0.39639%0.39SS..THydrogen-bonded Turntrans-113.9-1.9-177.729.116.9000112.3N1302 A1306 Q1307 E1308N1302-D1304 PolarHBondContact O-N 3.43Å; D1304-A1306 PolarHBondContact O-N 3.27Å; D1304-A1306 VanDerWaalsContact O-N 3.13Å; D1304-Q1307 WeakPolarHBondContact O-CB 3.07Å; D1304-Q1307 PolarHBondContact O-N 2.73Å; D1304-E1308 PolarHBondContact O-N 2.71Å
1305G77.4Confident82.8Confident1 Ų175.2 Ų75.21%0.0141%0.411CS..Hα-helixtrans-56.5-33.5179.400000113.2P1296 N1302 Q1307 E1309P1296-G1305 WeakPolarHBondContact CB-O 3.38Å; N1302-G1305 PolarHBondContact O-N 3.46Å; G1305-Q1307 PolarHBondContact O-N 3.31Å; G1305-E1309 VanDerWaalsContact CA-OE1 3.26Å; G1305-E1309 WeakPolarHBondContact CA-OE1 3.48Å; G1305-E1309 VanDerWaalsContact O-CB 3.25Å; G1305-E1309 WeakPolarHBondContact O-CB 3.5Å; G1305-E1309 PolarHBondContact O-N 3.44Å
1306A79.5Confident82.8Confident52 Ų5274.4 Ų74.443%0.4341%0.406SS..Hα-helixtrans-58.4-10.6171.100000115.9T1297 D1304T1297-A1306 HydrophobicContact CG2-CB 3.84Å; D1304-A1306 PolarHBondContact O-N 3.27Å; D1304-A1306 VanDerWaalsContact O-N 3.13Å
1307Q79.4Confident83.1Confident161 Ų16179.1 Ų79.175%0.75243%0.43SS*.Hα-helixtrans-119.9-33.3-177.7-69.5131.137.400113D1304 G1305D1304-Q1307 WeakPolarHBondContact O-CB 3.07Å; D1304-Q1307 PolarHBondContact O-N 2.73Å; G1305-Q1307 PolarHBondContact O-N 3.31Å
1308E84Confident83.6Confident83 Ų8374.2 Ų74.239%0.38840%0.4SS..Hα-helixtrans-97.3-24.9179.9-58.9-157.8149.100114.1D1304 G1339 L1340D1304-E1308 PolarHBondContact O-N 2.71Å; E1308-G1339 CarbonylContact O-C 3.6Å; E1308-G1339 VanDerWaalsContact O-CA 3.3Å; E1308-G1339 WeakPolarHBondContact O-CA 3.36Å; E1308-L1340 HydrophobicContact CB-CD1 4.33Å; E1308-L1340 PolarHBondContact O-N 3.24Å
1309E92.3Very high84Confident11 Ų1173.6 Ų73.65%0.05139%0.388CS..BIsolated β-bridgetrans-97.9153.9-175.2-56.3169.4-143.300112.6Y1294 P1296 S1300 N1302 G1305 F1329 L1340Y1294-E1309 PolarHBondContact OH-OE2 3.31Å; P1296-E1309 HydrophobicContact CB-CB 3.91Å; P1296-E1309 HydrophobicContact CG-CB 3.74Å; S1300-E1309 WeakPolarHBondContact CB-OE1 3.4Å; S1300-E1309 WeakPolarHBondContact CB-OE2 3.47Å; S1300-E1309 VanDerWaalsContact OG-CD 3.3Å; S1300-E1309 PolarHBondContact OG-OE1 2.91Å; S1300-E1309 PolarHBondContact OG-OE2 3.34Å; N1302-E1309 PolarHBondContact ND2-OE1 3.1Å; G1305-E1309 VanDerWaalsContact CA-OE1 3.26Å; G1305-E1309 WeakPolarHBondContact CA-OE1 3.48Å; G1305-E1309 VanDerWaalsContact O-CB 3.25Å; G1305-E1309 WeakPolarHBondContact O-CB 3.5Å; G1305-E1309 PolarHBondContact O-N 3.44Å; E1309-F1329 HydrophobicContact CG-CE1 4.06Å; E1309-L1340 CarbonylContact C-O 3.54Å; E1309-L1340 WeakPolarHBondContact CA-O 3.49Å; E1309-L1340 HydrophobicContact CG-CB 4.08Å
1310L90.4Very high84.6Confident3 Ų369.2 Ų69.22%0.01637%0.367CS..PPolyproline II helixtrans-96.7119.5-171.8-172.367.8000110.9F1312 I1318 C1334 L1337 L1340 V1341L1310-F1312 WeakPolarHBondContact O-CD1 3.38Å; L1310-F1312 WeakPolarHBondContact O-CE1 3.34Å; L1310-I1318 HydrophobicContact CD2-CG2 4.32Å; L1310-C1334 HydrophobicContact CD1-CB 4.39Å; L1310-C1334 HydrophobicContact CD2-CB 3.54Å; L1310-C1334 HydrophobicContact CG-CB 4.1Å; L1310-L1337 HydrophobicContact CD1-CB 3.66Å; L1310-L1340 PolarHBondContact N-O 3.27Å; L1310-V1341 HydrophobicContact CB-CG2 3.78Å; L1310-V1341 HydrophobicContact CD2-CG2 3.47Å; L1310-V1341 VanDerWaalsContact CD2-CG2 3.47Å; L1310-V1341 HydrophobicContact CG-CG2 4.22Å
1311P90.5Very high84.9Confident68 Ų6868.5 Ų68.544%0.44236%0.361SS..PPolyproline II helixtrans-74.7140171.828.9-33.4000111.9Y1294Y1294-P1311 VanDerWaalsContact O-CA 3.31Å; Y1294-P1311 WeakPolarHBondContact O-CA 3.37Å
1312F94Very high85.6Confident9 Ų964 Ų644%0.03933%0.332CS..BIsolated β-bridgetrans-154.4174.5177.852.1-98.3000111.9A1290 Y1294 L1310 Q1316 I1318 V1341 M1345 V1346A1290-F1312 HydrophobicContact CB-CD2 3.48Å; A1290-F1312 VanDerWaalsContact CB-CD2 3.48Å; A1290-F1312 HydrophobicContact CB-CE2 3.78Å; A1290-F1312 HydrophobicContact CB-CG 4.46Å; Y1294-F1312 VanDerWaalsContact CB-CZ 3.43Å; Y1294-F1312 AromaticContact CD1-CE1 3.92Å; Y1294-F1312 HydrophobicContact CD1-CE1 3.92Å; Y1294-F1312 HydrophobicContact CD1-CZ 4.04Å; Y1294-F1312 HydrophobicContact CG-CE1 4.16Å; Y1294-F1312 HydrophobicContact CG-CE2 4.27Å; Y1294-F1312 AromaticContact CG-CZ 3.85Å; Y1294-F1312 HydrophobicContact CG-CZ 3.85Å; Y1294-F1312 PolarHBondContact N-O 3.43Å; Y1294-F1312 PolarHBondContact O-N 2.9Å; Y1294-F1312 VanDerWaalsContact O-O 3.11Å; L1310-F1312 WeakPolarHBondContact O-CD1 3.38Å; L1310-F1312 WeakPolarHBondContact O-CE1 3.34Å; F1312-Q1316 VanDerWaalsContact CA-OE1 3.3Å; F1312-I1318 HydrophobicContact CB-CD1 4.02Å; F1312-I1318 HydrophobicContact CD1-CD1 3.59Å; F1312-I1318 HydrophobicContact CD2-CD1 3.88Å; F1312-I1318 HydrophobicContact CE1-CD1 3.96Å; F1312-I1318 HydrophobicContact CE2-CD1 4.19Å; F1312-I1318 HydrophobicContact CG-CD1 3.56Å; F1312-I1318 HydrophobicContact CZ-CD1 4.23Å; F1312-V1341 HydrophobicContact CE1-CB 4.44Å; F1312-V1341 HydrophobicContact CE1-CG1 3.89Å; F1312-V1341 HydrophobicContact CE1-CG2 4.21Å; F1312-V1341 HydrophobicContact CZ-CG1 4.2Å; F1312-M1345 HydrophobicContact CE2-CB 3.97Å; F1312-M1345 HydrophobicContact CZ-CB 3.73Å; F1312-V1346 HydrophobicContact CZ-CG1 4.44Å
1313R88.2Confident86.2Confident176 Ų17667.7 Ų67.766%0.66435%0.346SS*.  trans-121.3158.7179.1-71.2-165.1179.7178.3-1.6113.3A1290 D1293 G1315 Q1316A1290-R1313 WeakPolarHBondContact CB-O 3.29Å; D1293-R1313 WeakPolarHBondContact OD1-CA 3.48Å; D1293-R1313 WeakPolarHBondContact OD1-CB 3.48Å; D1293-R1313 WeakPolarHBondContact OD1-CG 3.47Å; R1313-G1315 PolarHBondContact O-N 2.75Å; R1313-Q1316 WeakPolarHBondContact O-CB 3.36Å; R1313-Q1316 PolarHBondContact O-N 2.88Å
1314E89.8Confident87.1Confident136 Ų13662.5 Ų62.564%0.63632%0.324SS*.THydrogen-bonded Turntrans-52.7137.5174.4-173.9177.8148.700111.1Y1292 D1293 Q1316Y1292-E1314 PolarHBondContact O-N 3.32Å; D1293-E1314 PolarHBondContact OD1-N 3.47Å; E1314-Q1316 PolarHBondContact O-N 3.3Å
1315G84.1Confident87.5Confident48 Ų4862.3 Ų62.350%0.49532%0.323SS..THydrogen-bonded Turntrans73.8-3.9-177.800000115.1A1290 R1313A1290-G1315 PolarHBondContact O-N 3.27Å; R1313-G1315 PolarHBondContact O-N 2.75Å
1316Q89.7Confident87.2Confident40 Ų4069.8 Ų69.819%0.18736%0.358CS..  trans-73.4141.3179.8-162.91739.100111.7A1290 F1312 R1313 E1314 C1334 N1335A1290-Q1316 PolarHBondContact N-O 3.03Å; F1312-Q1316 VanDerWaalsContact CA-OE1 3.3Å; R1313-Q1316 WeakPolarHBondContact O-CB 3.36Å; R1313-Q1316 PolarHBondContact O-N 2.88Å; E1314-Q1316 PolarHBondContact O-N 3.3Å; Q1316-C1334 PolarHBondContact NE2-SG 3.44Å; Q1316-N1335 PolarHBondContact NE2-ND2 3Å; Q1316-N1335 PolarHBondContact NE2-OD1 3.05Å
1317L90.7Very high87.2Confident106 Ų10673 Ų7356%0.55537%0.368SS*.EExtended strand (participates in β ladder)trans-88.6123.8180-62.7-176000111.4V1287 V1289 L1349V1287-L1317 HydrophobicContact CG1-CB 4.11Å; V1287-L1317 HydrophobicContact CG1-CD2 4.37Å; V1289-L1317 HydrophobicContact CB-CD2 4.15Å; V1289-L1317 HydrophobicContact CG2-CD2 4.28Å; L1317-L1349 HydrophobicContact CD2-CD1 3.86Å
1318I93.2Very high87.5Confident0 Ų066.4 Ų66.40%034%0.343CS..EExtended strand (participates in β ladder)trans-117.2131.6-177.7-55.6171.7000108.6V1287 V1288 A1290 L1310 F1312 I1320 C1334 V1341 V1346V1287-I1318 WeakPolarHBondContact CA-O 3.4Å; V1288-I1318 HydrophobicContact CG2-CB 3.88Å; V1288-I1318 HydrophobicContact CG2-CG2 4.46Å; V1288-I1318 PolarHBondContact N-O 2.99Å; V1288-I1318 PolarHBondContact O-N 3.46Å; A1290-I1318 HydrophobicContact CB-CD1 4.24Å; L1310-I1318 HydrophobicContact CD2-CG2 4.32Å; F1312-I1318 HydrophobicContact CB-CD1 4.02Å; F1312-I1318 HydrophobicContact CD1-CD1 3.59Å; F1312-I1318 HydrophobicContact CD2-CD1 3.88Å; F1312-I1318 HydrophobicContact CE1-CD1 3.96Å; F1312-I1318 HydrophobicContact CE2-CD1 4.19Å; F1312-I1318 HydrophobicContact CG-CD1 3.56Å; F1312-I1318 HydrophobicContact CZ-CD1 4.23Å; I1318-I1320 HydrophobicContact CG2-CD1 4.09Å; I1318-C1334 HydrophobicContact CG1-CB 4.14Å; I1318-C1334 HydrophobicContact CG2-CB 4.41Å; I1318-V1341 HydrophobicContact CD1-CG1 4.2Å; I1318-V1341 HydrophobicContact CG2-CG2 4.11Å; I1318-V1346 HydrophobicContact CD1-CG1 3.84Å
1319K90Very high87.8Confident93 Ų9364 Ų6440%0.40433%0.332SS..EExtended strand (participates in β ladder)trans-88.3123.4173.5-55.8175.6-159.4155.90109.2P1284 G1332 E1333P1284-K1319 HydrophobicContact CB-CB 4.08Å; K1319-G1332 CarbonylContact O-C 3.52Å; K1319-G1332 WeakPolarHBondContact O-CA 3.34Å; K1319-E1333 HydrophobicContact CB-CB 4.32Å; K1319-E1333 PolarHBondContact N-O 3.45Å; K1319-E1333 IonicContact NZ-OE1 2.98Å; K1319-E1333 PolarHBondContact NZ-OE1 3.05Å; K1319-E1333 PolarHBondContact O-N 3.46Å
1320I93.9Very high87.9Confident2 Ų265.3 Ų65.31%0.0134%0.336CS..EExtended strand (participates in β ladder)trans-88.7123.9178-61.6-49.4000109.4P1284 I1285 Q1286 V1288 I1318 T1322 Y1330P1284-I1320 CarbonylContact C-O 3.55Å; P1284-I1320 VanDerWaalsContact CA-O 3.28Å; P1284-I1320 WeakPolarHBondContact CA-O 3.4Å; I1285-I1320 PolarHBondContact N-O 3.5Å; Q1286-I1320 HydrophobicContact CG-CB 4.02Å; Q1286-I1320 HydrophobicContact CG-CG1 4.2Å; Q1286-I1320 HydrophobicContact CG-CG2 4.48Å; Q1286-I1320 PolarHBondContact O-N 3.49Å; V1288-I1320 HydrophobicContact CB-CG1 4.41Å; V1288-I1320 HydrophobicContact CG1-CG1 3.78Å; V1288-I1320 HydrophobicContact CG2-CD1 3.74Å; V1288-I1320 HydrophobicContact CG2-CG1 3.78Å; I1318-I1320 HydrophobicContact CG2-CD1 4.09Å; I1320-T1322 WeakPolarHBondContact CG2-O 3.42Å; I1320-Y1330 HydrophobicContact CD1-CD2 4.1Å; I1320-Y1330 HydrophobicContact CD1-CG 3.96Å; I1320-Y1330 HydrophobicContact CG1-CG 4.45Å; I1320-Y1330 HydrophobicContact CG2-CD1 3.61Å; I1320-Y1330 HydrophobicContact CG2-CE1 4.25Å; I1320-Y1330 HydrophobicContact CG2-CG 3.99Å
1321L88.2Confident87.9Confident5 Ų567.4 Ų67.43%0.02635%0.347CS..  trans-101.3-22.7-174.8-58.9178.4000113.6L1282 P1284 L1331 E1333 R1338L1282-L1321 HydrophobicContact CD1-CB 4.42Å; P1284-L1321 HydrophobicContact CB-CD2 4.35Å; L1321-L1331 HydrophobicContact CB-CD2 4.49Å; L1321-L1331 HydrophobicContact CB-CG 4.46Å; L1321-L1331 WeakPolarHBondContact CB-O 3.44Å; L1321-L1331 HydrophobicContact CD1-CG 4.46Å; L1321-L1331 PolarHBondContact N-O 3.05Å; L1321-E1333 HydrophobicContact CD1-CB 4.16Å; L1321-E1333 HydrophobicContact CG-CB 4.44Å; L1321-R1338 HydrophobicContact CD1-CG 4.26Å
1322T86.5Confident88Confident30 Ų3064.2 Ų64.218%0.18433%0.326CS..SBendtrans-128.8162.9175.363.60000110.5I1277 I1285 I1320 L1331I1277-T1322 HydrophobicContact CD1-CG2 4.12Å; I1285-T1322 VanDerWaalsContact CD1-C 3.44Å; I1320-T1322 WeakPolarHBondContact CG2-O 3.42Å; T1322-L1331 HydrophobicContact CG2-CB 3.77Å; T1322-L1331 HydrophobicContact CG2-CD2 4.1Å; T1322-L1331 WeakPolarHBondContact OG1-CB 3.5Å; T1322-L1331 PolarHBondContact OG1-N 3.1Å
1323E85.1Confident87.9Confident157 Ų15765.3 Ų65.373%0.73433%0.331SS*.  trans-62.5166.8161-63.1-176.7-171.300110.1I1285 D1325I1285-E1323 HydrophobicContact CD1-CG 4.16Å; E1323-D1325 PolarHBondContact O-N 3.48Å
1324C86.8Confident87.9Confident57 Ų5757.1 Ų57.139%0.38530%0.301SS..  trans-64.5132.9174.7-174.10000109.6G1328 F1329 Y1330C1324-G1328 VanDerWaalsContact SG-CA 3.6Å; C1324-F1329 CarbonylContact C-O 3.53Å; C1324-F1329 WeakPolarHBondContact CA-O 3.24Å; C1324-Y1330 HydrophobicContact CB-CD1 3.97Å; C1324-Y1330 HydrophobicContact CB-CE1 3.67Å
1325D84Confident87.3Confident70 Ų7057.5 Ų57.537%0.37431%0.308SS..  trans-76.7179.3176.167.526.4000112.7E1323 D1327 G1328 F1329E1323-D1325 PolarHBondContact O-N 3.48Å; D1325-D1327 PolarHBondContact O-N 3.43Å; D1325-D1327 WeakPolarHBondContact OD1-CA 3.4Å; D1325-D1327 PolarHBondContact OD1-N 3.04Å; D1325-G1328 PolarHBondContact O-N 3.41Å; D1325-G1328 PolarHBondContact OD1-N 3.27Å; D1325-F1329 VanDerWaalsContact CG-O 3.27Å; D1325-F1329 PolarHBondContact N-O 3.42Å; D1325-F1329 PolarHBondContact OD1-N 3.4Å
1326E71.8Confident87Confident159 Ų15958.3 Ų58.374%0.74332%0.316SS*.THydrogen-bonded Turntrans-68.6-13.6-179-59.4-170.9-173.800114K346K346-E1326 VanDerWaalsContact CD-O 3.28Å; K346-E1326 WeakPolarHBondContact CD-O 3.48Å; K346-E1326 WeakPolarHBondContact CE-O 3.48Å; K346-E1326 VanDerWaalsContact NZ-CB 3.31Å; K346-E1326 PolarHBondContact NZ-O 2.9Å; K346-E1326 IonicContact NZ-OE2 2.72Å
1327D78.6Confident86.4Confident119 Ų11961.5 Ų61.564%0.63633%0.334SS*.THydrogen-bonded Turntrans-107.91.2-176.6-71.1-64.7000112.8K346 D1325K346-D1327 IonicContact NZ-OD1 3.68Å; K346-D1327 PolarHBondContact NZ-OD1 2.77Å; K346-D1327 IonicContact NZ-OD2 3.99Å; K346-D1327 PolarHBondContact NZ-OD2 3.06Å; D1325-D1327 PolarHBondContact O-N 3.43Å; D1325-D1327 WeakPolarHBondContact OD1-CA 3.4Å; D1325-D1327 PolarHBondContact OD1-N 3.04Å
1328G85.8Confident86.4Confident23 Ų2363.3 Ų63.324%0.23733%0.333CS..SBendtrans100.713.5169.200000114.8C1324 D1325 S1343C1324-G1328 VanDerWaalsContact SG-CA 3.6Å; D1325-G1328 PolarHBondContact O-N 3.41Å; D1325-G1328 PolarHBondContact OD1-N 3.27Å; G1328-S1343 VanDerWaalsContact O-CB 3.24Å; G1328-S1343 WeakPolarHBondContact O-CB 3.44Å; G1328-S1343 PolarHBondContact O-N 3.39Å; G1328-S1343 PolarHBondContact O-OG 3.38Å
1329F91.4Very high86.3Confident33 Ų3363.6 Ų63.615%0.14534%0.337CS..EExtended strand (participates in β ladder)trans-109.2147.4-178.9-64.5-102.2000112.1E1309 C1324 D1325 L1340 V1341 P1342E1309-F1329 HydrophobicContact CG-CE1 4.06Å; C1324-F1329 CarbonylContact C-O 3.53Å; C1324-F1329 WeakPolarHBondContact CA-O 3.24Å; D1325-F1329 VanDerWaalsContact CG-O 3.27Å; D1325-F1329 PolarHBondContact N-O 3.42Å; D1325-F1329 PolarHBondContact OD1-N 3.4Å; F1329-L1340 HydrophobicContact CB-CB 4.05Å; F1329-L1340 HydrophobicContact CB-CD2 4.18Å; F1329-L1340 HydrophobicContact CD1-CB 3.71Å; F1329-L1340 HydrophobicContact CE1-CB 4.47Å; F1329-L1340 HydrophobicContact CG-CB 4.13Å; F1329-V1341 WeakPolarHBondContact CA-O 3.28Å; F1329-P1342 HydrophobicContact CD1-CB 4.32Å; F1329-P1342 HydrophobicContact CD1-CG 4.12Å; F1329-P1342 HydrophobicContact CE1-CB 4.16Å; F1329-P1342 HydrophobicContact CE1-CG 3.76Å
1330Y92.9Very high86.4Confident37 Ų3760.7 Ų60.715%0.14533%0.325CS..EExtended strand (participates in β ladder)trans-98146.1163-60.6-76.7000109.6I1320 C1324 G1332 L1340 V1341 S1343 V1346I1320-Y1330 HydrophobicContact CD1-CD2 4.1Å; I1320-Y1330 HydrophobicContact CD1-CG 3.96Å; I1320-Y1330 HydrophobicContact CG1-CG 4.45Å; I1320-Y1330 HydrophobicContact CG2-CD1 3.61Å; I1320-Y1330 HydrophobicContact CG2-CE1 4.25Å; I1320-Y1330 HydrophobicContact CG2-CG 3.99Å; C1324-Y1330 HydrophobicContact CB-CD1 3.97Å; C1324-Y1330 HydrophobicContact CB-CE1 3.67Å; Y1330-G1332 PolarHBondContact O-N 3.33Å; Y1330-L1340 CarbonylContact O-C 3.56Å; Y1330-L1340 WeakPolarHBondContact O-CA 3.26Å; Y1330-V1341 PolarHBondContact N-O 3.34Å; Y1330-V1341 PolarHBondContact O-N 3.48Å; Y1330-S1343 VanDerWaalsContact CE2-CB 3.48Å; Y1330-V1346 HydrophobicContact CD2-CG2 4.1Å; Y1330-V1346 HydrophobicContact CE2-CG2 3.82Å
1331L91.5Very high86.4Confident48 Ų4860.6 Ų60.625%0.25133%0.325SS..EExtended strand (participates in β ladder)trans-74.4110.9159.3-174.565.5000108.5L1321 T1322L1321-L1331 HydrophobicContact CB-CD2 4.49Å; L1321-L1331 HydrophobicContact CB-CG 4.46Å; L1321-L1331 WeakPolarHBondContact CB-O 3.44Å; L1321-L1331 HydrophobicContact CD1-CG 4.46Å; L1321-L1331 PolarHBondContact N-O 3.05Å; T1322-L1331 HydrophobicContact CG2-CB 3.77Å; T1322-L1331 HydrophobicContact CG2-CD2 4.1Å; T1322-L1331 WeakPolarHBondContact OG1-CB 3.5Å; T1322-L1331 PolarHBondContact OG1-N 3.1Å
1332G91.9Very high86.5Confident0 Ų061.1 Ų61.10%033%0.329CS..EExtended strand (participates in β ladder)trans-107.7159.9-178.100000113.8K1319 Y1330 R1338 G1339K1319-G1332 CarbonylContact O-C 3.52Å; K1319-G1332 WeakPolarHBondContact O-CA 3.34Å; Y1330-G1332 PolarHBondContact O-N 3.33Å; G1332-R1338 VanDerWaalsContact O-CA 3.28Å; G1332-R1338 WeakPolarHBondContact O-CA 3.27Å; G1332-G1339 PolarHBondContact N-O 3.33Å; G1332-G1339 PolarHBondContact O-N 3.03Å
1333E91.9Very high86.7Confident32 Ų3261.1 Ų61.115%0.1533%0.33CS..EExtended strand (participates in β ladder)trans-124.9123.2166.6-175.5-173.5104.100109.9K1319 L1321 L1337 R1338K1319-E1333 HydrophobicContact CB-CB 4.32Å; K1319-E1333 PolarHBondContact N-O 3.45Å; K1319-E1333 IonicContact NZ-OE1 2.98Å; K1319-E1333 PolarHBondContact NZ-OE1 3.05Å; K1319-E1333 PolarHBondContact O-N 3.46Å; L1321-E1333 HydrophobicContact CD1-CB 4.16Å; L1321-E1333 HydrophobicContact CG-CB 4.44Å; E1333-L1337 VanDerWaalsContact CA-O 3.29Å; E1333-L1337 WeakPolarHBondContact CA-O 3.45Å; E1333-R1338 HydrophobicContact CB-CG 3.96Å; E1333-R1338 HydrophobicContact CG-CG 3.95Å; E1333-R1338 IonicContact OE2-CZ 2.78Å; E1333-R1338 VanDerWaalsContact OE2-CZ 3.23Å; E1333-R1338 IonicContact OE2-NE 3.87Å; E1333-R1338 PolarHBondContact OE2-NE 2.71Å; E1333-R1338 IonicContact OE2-NH2 3.16Å; E1333-R1338 PolarHBondContact OE2-NH2 3.18Å
1334C87.6Confident86.9Confident5 Ų560.4 Ų60.43%0.03433%0.331CS..EExtended strand (participates in β ladder)trans-142.7133.6-179.8-1660000109.1L1310 Q1316 I1318 G1336 L1337L1310-C1334 HydrophobicContact CD1-CB 4.39Å; L1310-C1334 HydrophobicContact CD2-CB 3.54Å; L1310-C1334 HydrophobicContact CG-CB 4.1Å; Q1316-C1334 PolarHBondContact NE2-SG 3.44Å; I1318-C1334 HydrophobicContact CG1-CB 4.14Å; I1318-C1334 HydrophobicContact CG2-CB 4.41Å; C1334-G1336 PolarHBondContact O-N 2.86Å; C1334-L1337 PolarHBondContact N-O 2.82Å; C1334-L1337 PolarHBondContact O-N 3.48Å
1335N78.6Confident86.9Confident144 Ų14460 Ų6077%0.7732%0.324SS*.THydrogen-bonded Turntrans49.624.9-174.2-66.1-3.7000115.4Q1316 L1337Q1316-N1335 PolarHBondContact NE2-ND2 3Å; Q1316-N1335 PolarHBondContact NE2-OD1 3.05Å; N1335-L1337 PolarHBondContact O-N 3.18Å
1336G76.1Confident87.2Confident65 Ų6557.4 Ų57.467%0.6731%0.31SS*.THydrogen-bonded Turntrans81.3-7-176.100000115C1334C1334-G1336 PolarHBondContact O-N 2.86Å
1337L78.6Confident87.9Confident107 Ų10752.3 Ų52.356%0.5629%0.292SS*.EExtended strand (participates in β ladder)trans-80152.8165.5-63.2176.3000109.9L1310 E1333 C1334 N1335L1310-L1337 HydrophobicContact CD1-CB 3.66Å; E1333-L1337 VanDerWaalsContact CA-O 3.29Å; E1333-L1337 WeakPolarHBondContact CA-O 3.45Å; C1334-L1337 PolarHBondContact N-O 2.82Å; C1334-L1337 PolarHBondContact O-N 3.48Å; N1335-L1337 PolarHBondContact O-N 3.18Å
1338R89.4Confident88Confident143 Ų14352 Ų5254%0.5429%0.287SS..EExtended strand (participates in β ladder)trans-127.5142.7173.7-69.6-178.6177.6-174.5-4.4109.9L1321 G1332 E1333L1321-R1338 HydrophobicContact CD1-CG 4.26Å; G1332-R1338 VanDerWaalsContact O-CA 3.28Å; G1332-R1338 WeakPolarHBondContact O-CA 3.27Å; E1333-R1338 HydrophobicContact CB-CG 3.96Å; E1333-R1338 HydrophobicContact CG-CG 3.95Å; E1333-R1338 IonicContact OE2-CZ 2.78Å; E1333-R1338 VanDerWaalsContact OE2-CZ 3.23Å; E1333-R1338 IonicContact OE2-NE 3.87Å; E1333-R1338 PolarHBondContact OE2-NE 2.71Å; E1333-R1338 IonicContact OE2-NH2 3.16Å; E1333-R1338 PolarHBondContact OE2-NH2 3.18Å
1339G91.1Very high86.8Confident7 Ų753.7 Ų53.77%0.07229%0.29CS..EExtended strand (participates in β ladder)trans179.7177.6-17900000110.8E1308 G1332E1308-G1339 CarbonylContact O-C 3.6Å; E1308-G1339 VanDerWaalsContact O-CA 3.3Å; E1308-G1339 WeakPolarHBondContact O-CA 3.36Å; G1332-G1339 PolarHBondContact N-O 3.33Å; G1332-G1339 PolarHBondContact O-N 3.03Å
1340L93Very high84.4Confident31 Ų3158.9 Ų58.916%0.16232%0.315CS..EExtended strand (participates in β ladder)trans-71.7135.5176.7-62.1175.7000110.8E1308 E1309 L1310 F1329 Y1330E1308-L1340 HydrophobicContact CB-CD1 4.33Å; E1308-L1340 PolarHBondContact O-N 3.24Å; E1309-L1340 CarbonylContact C-O 3.54Å; E1309-L1340 WeakPolarHBondContact CA-O 3.49Å; E1309-L1340 HydrophobicContact CG-CB 4.08Å; L1310-L1340 PolarHBondContact N-O 3.27Å; F1329-L1340 HydrophobicContact CB-CB 4.05Å; F1329-L1340 HydrophobicContact CB-CD2 4.18Å; F1329-L1340 HydrophobicContact CD1-CB 3.71Å; F1329-L1340 HydrophobicContact CE1-CB 4.47Å; F1329-L1340 HydrophobicContact CG-CB 4.13Å; Y1330-L1340 CarbonylContact O-C 3.56Å; Y1330-L1340 WeakPolarHBondContact O-CA 3.26Å
1341V94.2Very high81.4Confident0 Ų062.4 Ų62.40%035%0.345CS..EExtended strand (participates in β ladder)trans-121.6115.9-177.8170.40000108.1L1310 F1312 I1318 F1329 Y1330 S1343 V1346L1310-V1341 HydrophobicContact CB-CG2 3.78Å; L1310-V1341 HydrophobicContact CD2-CG2 3.47Å; L1310-V1341 VanDerWaalsContact CD2-CG2 3.47Å; L1310-V1341 HydrophobicContact CG-CG2 4.22Å; F1312-V1341 HydrophobicContact CE1-CB 4.44Å; F1312-V1341 HydrophobicContact CE1-CG1 3.89Å; F1312-V1341 HydrophobicContact CE1-CG2 4.21Å; F1312-V1341 HydrophobicContact CZ-CG1 4.2Å; I1318-V1341 HydrophobicContact CD1-CG1 4.2Å; I1318-V1341 HydrophobicContact CG2-CG2 4.11Å; F1329-V1341 WeakPolarHBondContact CA-O 3.28Å; Y1330-V1341 PolarHBondContact N-O 3.34Å; Y1330-V1341 PolarHBondContact O-N 3.48Å; V1341-S1343 PolarHBondContact O-N 3.26Å; V1341-V1346 HydrophobicContact CG1-CG1 3.66Å; V1341-V1346 HydrophobicContact CG1-CG2 4.4Å
1342P90.2Very high78.4Confident17 Ų1768.5 Ų68.511%0.1137%0.372CS..EExtended strand (participates in β ladder)trans-62125.4179.4-14.824000110.7Y1294 F1329 N1344 M1345Y1294-P1342 HydrophobicContact CD1-CG 4.21Å; Y1294-P1342 HydrophobicContact CE1-CG 3.63Å; Y1294-P1342 HydrophobicContact CE2-CG 4.14Å; F1329-P1342 HydrophobicContact CD1-CB 4.32Å; F1329-P1342 HydrophobicContact CD1-CG 4.12Å; F1329-P1342 HydrophobicContact CE1-CB 4.16Å; F1329-P1342 HydrophobicContact CE1-CG 3.76Å; P1342-N1344 VanDerWaalsContact C-N 3.27Å; P1342-N1344 PolarHBondContact O-N 3.3Å; P1342-M1345 HydrophobicContact CB-CB 4.39Å; P1342-M1345 HydrophobicContact CB-CG 3.92Å; P1342-M1345 HydrophobicContact CG-CG 4.16Å; P1342-M1345 WeakPolarHBondContact O-CB 3.3Å; P1342-M1345 PolarHBondContact O-N 2.75Å
1343S89.5Confident75.4Confident29 Ų2973.4 Ų73.420%0.20341%0.406CS..G310 helixtrans-59.6-35.3-175.853.20000113.6G1328 Y1330 V1341 M1345 V1346G1328-S1343 VanDerWaalsContact O-CB 3.24Å; G1328-S1343 WeakPolarHBondContact O-CB 3.44Å; G1328-S1343 PolarHBondContact O-N 3.39Å; G1328-S1343 PolarHBondContact O-OG 3.38Å; Y1330-S1343 VanDerWaalsContact CE2-CB 3.48Å; V1341-S1343 PolarHBondContact O-N 3.26Å; S1343-M1345 PolarHBondContact O-N 3.36Å; S1343-V1346 VanDerWaalsContact O-CG2 3.27Å; S1343-V1346 WeakPolarHBondContact O-CG2 3.41Å; S1343-V1346 PolarHBondContact O-N 3.07Å
1344N89.1Confident72.4Confident142 Ų14278.1 Ų78.176%0.75943%0.432SS*.G310 helixtrans-67.3-14.8177-68-33000114.4P1342P1342-N1344 VanDerWaalsContact C-N 3.27Å; P1342-N1344 PolarHBondContact O-N 3.3Å
1345M88.7Confident69.4Low50 Ų5089.4 Ų89.425%0.24647%0.474CS..G310 helixtrans-92.51.7179.9-63.7-63.6-178.300113A1290 L1291 Y1292 Y1294 F1312 P1342 S1343A1290-M1345 WeakPolarHBondContact CA-O 3.38Å; L1291-M1345 PolarHBondContact N-O 3.38Å; Y1292-M1345 HydrophobicContact CD2-SD 3.84Å; Y1294-M1345 HydrophobicContact CD2-CE 3.96Å; Y1294-M1345 HydrophobicContact CD2-CG 3.99Å; Y1294-M1345 HydrophobicContact CD2-SD 4.27Å; Y1294-M1345 HydrophobicContact CE2-CE 3.94Å; Y1294-M1345 HydrophobicContact CE2-CG 4.37Å; F1312-M1345 HydrophobicContact CE2-CB 3.97Å; F1312-M1345 HydrophobicContact CZ-CB 3.73Å; P1342-M1345 HydrophobicContact CB-CB 4.39Å; P1342-M1345 HydrophobicContact CB-CG 3.92Å; P1342-M1345 HydrophobicContact CG-CG 4.16Å; P1342-M1345 WeakPolarHBondContact O-CB 3.3Å; P1342-M1345 PolarHBondContact O-N 2.75Å; S1343-M1345 PolarHBondContact O-N 3.36Å
1346V89.4Confident66.9Low14 Ų1488 Ų889%0.08548%0.475CS..EExtended strand (participates in β ladder)trans-135.8158-173.4-64.90000112.9V1288 V1289 F1312 I1318 Y1330 V1341 S1343V1288-V1346 HydrophobicContact CB-CB 4Å; V1288-V1346 HydrophobicContact CB-CG2 4.42Å; V1288-V1346 HydrophobicContact CG2-CB 3.63Å; V1288-V1346 HydrophobicContact CG2-CG1 3.8Å; V1288-V1346 HydrophobicContact CG2-CG2 4.03Å; V1289-V1346 CarbonylContact O-C 3.48Å; V1289-V1346 WeakPolarHBondContact O-CA 3.48Å; F1312-V1346 HydrophobicContact CZ-CG1 4.44Å; I1318-V1346 HydrophobicContact CD1-CG1 3.84Å; Y1330-V1346 HydrophobicContact CD2-CG2 4.1Å; Y1330-V1346 HydrophobicContact CE2-CG2 3.82Å; V1341-V1346 HydrophobicContact CG1-CG1 3.66Å; V1341-V1346 HydrophobicContact CG1-CG2 4.4Å; S1343-V1346 VanDerWaalsContact O-CG2 3.27Å; S1343-V1346 WeakPolarHBondContact O-CG2 3.41Å; S1343-V1346 PolarHBondContact O-N 3.07Å
1347S87.2Confident64.6Low52 Ų5292.8 Ų92.836%0.36448%0.48SS..EExtended strand (participates in β ladder)trans-136.1143.1179.6-163.30000112.8V1288 V1289V1288-S1347 CarbonylContact C-O 3.51Å; V1288-S1347 VanDerWaalsContact CA-O 3.28Å; V1288-S1347 WeakPolarHBondContact CA-O 3.24Å; V1288-S1347 VanDerWaalsContact CB-O 3.3Å; V1288-S1347 WeakPolarHBondContact CB-O 3.35Å; V1289-S1347 PolarHBondContact N-O 3.02Å; V1289-S1347 PolarHBondContact O-N 2.95Å
1348E79.7Confident62Low113 Ų11397.5 Ų97.553%0.52850%0.496SS..EExtended strand (participates in β ladder)trans-73.1126.9-179.1-67.3-173.2170.600112.3Q1286 V1288 Q1350Q1286-E1348 PolarHBondContact NE2-OE1 3.19Å; Q1286-E1348 PolarHBondContact OE1-OE1 3.13Å; V1288-E1348 HydrophobicContact CG1-CG 4.44Å; E1348-Q1350 PolarHBondContact O-N 3.47Å
1349L62Low59.1Low58 Ų5897.9 Ų97.930%0.30451%0.507SS..  trans-71.591.8174.1-73.5173.4000110.9V1287 V1289 L1317 S1351 L1354V1287-L1349 HydrophobicContact CB-CD1 4.46Å; V1287-L1349 HydrophobicContact CG1-CD1 4.13Å; V1289-L1349 HydrophobicContact CB-CD2 4.33Å; V1289-L1349 HydrophobicContact CG1-CD2 4.24Å; L1317-L1349 HydrophobicContact CD2-CD1 3.86Å; L1349-S1351 WeakPolarHBondContact O-CA 3.48Å; L1349-S1351 PolarHBondContact O-N 2.97Å; L1349-S1351 PolarHBondContact O-OG 2.81Å; L1349-S1351 VanDerWaalsContact O-OG 3.12Å; L1349-L1354 HydrophobicContact CD1-CD1 4.39Å
1350Q40.5Very low56.2Low142 Ų142104.7 Ų104.766%0.66454%0.542SS*.  trans-48.6113.9175.3-69.7-168.6-3.900111.1E1348 H1352E1348-Q1350 PolarHBondContact O-N 3.47Å; Q1350-H1352 PolarHBondContact O-N 3.23Å
1351S29.3Very low53.1Low111 Ų111111.2 Ų111.278%0.77657%0.572SS**THydrogen-bonded Turntrans-82.830.9-151.7-40.50000114.5L1349L1349-S1351 WeakPolarHBondContact O-CA 3.48Å; L1349-S1351 PolarHBondContact O-N 2.97Å; L1349-S1351 PolarHBondContact O-OG 2.81Å; L1349-S1351 VanDerWaalsContact O-OG 3.12Å
1352H27.9Very low49.9Very low177 Ų177116.6 Ų116.682%0.81961%0.609SS**THydrogen-bonded Turntrans-124.5-11.6-176.3-80.312.1000114.7Q1350Q1350-H1352 PolarHBondContact O-N 3.23Å
1353S28.9Very low46.8Very low103 Ų103121.4 Ų121.472%0.7263%0.632SS**SBendtrans-86.8-20.3174.5-65.10000114.2R1355S1353-R1355 PolarHBondContact O-N 3Å
1354L28.4Very low43.8Very low130 Ų130126.3 Ų126.368%0.68166%0.656SS**THydrogen-bonded Turntrans-94.536.7-171.9-68.2174.8000114.9L1349L1349-L1354 HydrophobicContact CD1-CD1 4.39Å
1355R25.7Very low40.8Very low242 Ų242123.6 Ų123.691%0.91365%0.649SS**THydrogen-bonded Turntrans-112.81.8169.1-142.7174-170.5171.54114.5S1353S1353-R1355 PolarHBondContact O-N 3Å
1356S26.5Very low37.8Very low115 Ų115129 Ų12980%0.80467%0.673SS**SBendtrans-122.720.3-173.4-60.50000114.9
1357Q26.3Very low34.8Very low165 Ų165134.2 Ų134.277%0.77171%0.71SS**  trans-132.3106164.3-83.3-176.1-11.100110.8
1358K25.1Very low32.1Very low207 Ų207138 Ų13890%0.973%0.726SS**  trans-88.6102.4162.2-81.6-175.3173.7-178.60108.7
1359I29.5Very low29.4Very low151 Ų151140.2 Ų140.277%0.77474%0.741SS**  trans-126.9132.2157.7-59.1-177.8000106.3
1360N29.5Very low27.9Very low150 Ų150144.3 Ų144.380%0.80276%0.762SS**  trans-88.5160.6-172-72.9-16.8000112.4
1361H27.1Very low27.2Very low168 Ų168143.6 Ų143.678%0.77876%0.762SS**  trans-52.8143.8-176.9-61.3-91.7000117.2
1362S27.2Very low27.1Very low112 Ų112144.4 Ų144.478%0.78376%0.758SS**  -156.1143.5122.1-109.70000106.8
1363I25.2Very low27.1Very low118 Ų118141.7 Ų141.761%0.60575%0.75SS**  cis57.78711.7-49.8177.9000110.6
1364D26.2Very low27.1Very low132 Ų132146.4 Ų146.471%0.70675%0.753SS**  -162.3141.761.5-107.4-46.9000115.3
1365S25.6Very low27.1Very low86 Ų86147.5 Ų147.560%0.60176%0.759SS**  44.9132.5118.2-49.70000124.5
1366H26.7Very low27.1Very low162 Ų162141 Ų14175%0.7575%0.75SS**  trans74.3125.8153-62.4-59.8000122.2
1367S26.7Very low27Very low124 Ų124140.1 Ų140.187%0.86774%0.744SS**  trans-93.1140.4147.1500000109.8
1368N29Very low27.2Very low132 Ų132138.8 Ų138.871%0.70674%0.742SS**  trans-115.7158-164.3-57.2-64.2000113.5
1369L24.4Very low27.6Very low159 Ų159136.3 Ų136.383%0.83273%0.734SS**  trans-120.8148.3133.2-75.791.2000105.9
1370I29.1Very low27.4Very low145 Ų145136.1 Ų136.174%0.74473%0.734SS**SBendcis-133.7135.531.4-72.8175.4000111.7
1371D27.1Very low27.3Very low126 Ų126134.6 Ų134.667%0.67473%0.726SS**  trans53.7140.3150.5-59.1-1.2000125.9
1372N27.4Very low27.5Very low128 Ų128135.2 Ų135.268%0.68473%0.726SS**  trans81.1105139.9-70.8-27.1000122.5
1373N27.5Very low27.6Very low121 Ų121135 Ų13565%0.64772%0.72SS**  99.3122.5123-70.1-22.9000122.4
1374Y28.4Very low27.6Very low201 Ų201140 Ų14079%0.78873%0.731SS**  trans78.6116150.2-59.4-52.7000123.3
1375L29Very low27.6Very low154 Ų154138.2 Ų138.281%0.80673%0.729SS**  trans60112.2139.1-85.373.9000123.2
1376S24.8Very low27.8Very low105 Ų105140.3 Ų140.373%0.73474%0.738SS**  51.1127.9115.9-136.80000123.5
1377S24.8Very low28Very low97 Ų97139.7 Ų139.768%0.67874%0.741SS**  trans51.3122.2140.4-44.80000120.6
1378D30.7Very low27.9Very low136 Ų136141.9 Ų141.973%0.72774%0.739SS**  170.6157.178.9-118.2-46.6000115.9
1379Q33.2Very low27.9Very low155 Ų155142.7 Ų142.772%0.72474%0.743SS**  trans37.5111.8150.8-74.516672.500126.3
1380L26.2Very low28.1Very low148 Ų148140.1 Ų140.178%0.77574%0.739SS**  47.8133116.6-78.2164.6000125
1381N28Very low28.4Very low117 Ų117138.4 Ų138.463%0.62674%0.737SS**  trans85101.7140.1-84.4-37.7000123.4
1382K29.8Very low28.3Very low182 Ų182139.8 Ų139.879%0.79174%0.743SS**  72.7129.1115-83.2-176.2-179.1166.60123.3
1383V29.6Very low28.2Very low108 Ų108141.7 Ų141.766%0.65575%0.748SS**  119.3113.2114.8144.70000121
1384R26.3Very low28.1Very low222 Ų222141.5 Ų141.584%0.83875%0.747SS**  trans68.1164.7144.3-72.6-178.5-171.2155.4-1.2121.8
1385S25.1Very low27.9Very low94 Ų94141.6 Ų141.666%0.65775%0.747SS**  cis174130.2-44.656.70000112.1
1386T31.2Very low27.9Very low131 Ų131145.3 Ų145.380%0.80475%0.752SS**  trans-171.4150.316134.30000107.8
1387D30Very low27.9Very low149 Ų149150.7 Ų150.780%0.79776%0.758SS**  cis-151.1178.1-0.6-128.3-37.6000113.2
1388M23.5Very low27.8Very low169 Ų169151.7 Ų151.783%0.83376%0.76SS**  trans-82.3151.5-167.8-70.2-77.4-16000117.3
1389N30.6Very low27.5Very low149 Ų149151.2 Ų151.280%0.79776%0.762SS**  trans-159.1111.5141.3-128.3-43.8000116.9
1390S27.9Very low27.1Very low106 Ų106155 Ų15574%0.74177%0.77SS**  trans70152.2145.7-63.30000122.1
1391P35.2Very low27Very low109 Ų109155.8 Ų155.871%0.70877%0.767SS**  trans-138.4151-137.240.1-21.2000120.8
1392I24.8Very low26.9Very low155 Ų155161.9 Ų161.980%0.79578%0.783SS**  31.4120.2129-34.5168.7000120.2
1393Q25.9Very low26.6Very low167 Ų167158.8 Ų158.878%0.7878%0.775SS**  174.3130112.8-93.8-1671400117.5
1394N24.9Very low26.5Very low118 Ų118159.1 Ų159.163%0.63178%0.783SS**  trans57.4117135.9-64.5-12000125.1
1395Y25Very low26.3Very low202 Ų202157.4 Ų157.479%0.79278%0.781SS**  trans46.4116.9137.3-67.5-85.8000122
1396Y28Very low26.5Very low233 Ų233161 Ų16191%0.91479%0.791SS**  -173.9176110.8-100.7-67.1000110.7
1397Y24.3Very low26.2Very low217 Ų217158.5 Ų158.585%0.85178%0.78SS**  trans-100.5158.7-168.2-101-89.7000114.8
1398T23.2Very low26.2Very low119 Ų119159.8 Ų159.873%0.7378%0.781SS**  trans76.4130.1161.465.70000122.9
1399T24Very low26.2Very low126 Ų126156.1 Ų156.177%0.77377%0.772SS**  trans62.5114.6152.856.90000120.6
1400R24.6Very low25.8Very low233 Ų233156.1 Ų156.188%0.87977%0.772SS**  -163.1130.8107.5-102.7163.5-161.1-143.83.7113
1401K24.5Very low25.8Very low166 Ų166158.1 Ų158.172%0.72278%0.78SS**  trans35.2132.4131.3-64.5-172.6162.5-158.80119.8
1402Y26.3Very low25.4Very low244 Ų244159.3 Ų159.396%0.95779%0.785SS**  -125.3128.3112.3-100.7-84000110.5
1403D23.5Very low25.8Very low117 Ų117157 Ų15763%0.62678%0.78SS**  trans-149.3112.9176.1-144-9.7000105
1404S27.5Very low25.7Very low116 Ų116159.7 Ų159.781%0.81178%0.783SS**  trans176.799.5153.9-108.20000113.8
1405F22.5Very low25.9Very low185 Ų185160.7 Ų160.781%0.81179%0.788SS**  trans-9.9125.3143.7-61.8-94.9000119.2
1406I28.8Very low26.1Very low169 Ų169156 Ų15687%0.86778%0.781SS**  trans-144.5149131.6-58-174.9000106.8
1407S26.2Very low26.1Very low80 Ų80151.3 Ų151.356%0.55977%0.772SS**  -167.2166.2-66.8640000108.6
1408Q29Very low26.2Very low175 Ų175149.9 Ų149.982%0.81877%0.77SS**  trans73.389.9160.3-62.2175.458.500120.1
1409S23.4Very low26.6Very low93 Ų93151.5 Ų151.565%0.6577%0.773SS**  37.2132.6115.362.30000123.1
1410N23.3Very low27.2Very low149 Ų149151.6 Ų151.680%0.79777%0.769SS**  trans71.5100.5141.9-59.3-5.5000120.2
1411T27.8Very low27.3Very low148 Ų148148.1 Ų148.191%0.90876%0.762SS**  -166.2130.4119.912.40000112.7
1412T25.7Very low27.8Very low133 Ų133147.6 Ų147.682%0.81676%0.763SS**  trans-102.4168.7154.214.20000107.9
1413P33.3Very low28.5Very low106 Ų106142.1 Ų142.169%0.68875%0.754SS**  cis-136.8175.45.441.2-23.8000116.9
1414R24.6Very low29.2Very low225 Ų225145.3 Ų145.385%0.84976%0.759SS**  trans49.2126.5145-76.4179-178.4171.50.1120.9
1415N27.4Very low29.9Very low138 Ų138145.9 Ų145.974%0.73875%0.748SS**  -166.6152.987.2-114.6-3.4000115.1
1416T30.4Very low30.9Very low103 Ų103144 Ų14463%0.63274%0.742SS**  trans46102.4152.857.10000121.3
1417D27Very low31.5Very low135 Ų135143.2 Ų143.272%0.72274%0.735SS**  34.2123.4109-33.5-37000119.6
1418F26.9Very low32.3Very low187 Ų187145.2 Ų145.282%0.8274%0.736SS**  171.7151.9107.1-108-84.1000112.2
1419I32.4Very low33Very low154 Ų154143.5 Ų143.579%0.7973%0.727SS**  trans71134.1166.7-59.2152.7000114.1
1420D35.3Very low33.9Very low127 Ų127146.2 Ų146.268%0.67973%0.73SS**  cis-135.2143.37.3-145.4-32.4000112.3Q1422D1420-Q1422 WeakPolarHBondContact OD1-CG 3.41Å
1421E28.5Very low34.8Very low161 Ų161146.1 Ų146.175%0.75272%0.724SS**  trans-122.520.3-175.8-151.4-173.6168.100113
1422Q33.3Very low35.5Very low155 Ų155146.4 Ų146.472%0.72472%0.716SS**  trans-96.4-19.7-168.8-66.4-144.6-20.600117.3D1420D1420-Q1422 WeakPolarHBondContact OD1-CG 3.41Å
1423V41.9Very low36.2Very low128 Ų128148 Ų14878%0.77671%0.714SS**Hα-helixtrans-80.8-33-170.8-176.90000113.3
1424Y39.1Very low36.4Very low184 Ų184151.6 Ų151.672%0.72272%0.721SS**Hα-helixtrans-83.5-16.1-173-144.1-106.9000114.7
1425Q41.7Very low36.7Very low128 Ų128148.6 Ų148.660%0.59872%0.717SS**Hα-helixtrans-82.8-32.7176-61.7-16616.100112.5Q1427 Q1428Q1425-Q1427 VanDerWaalsContact C-N 3.32Å; Q1425-Q1427 PolarHBondContact O-N 3.33Å; Q1425-Q1428 PolarHBondContact O-N 3.22Å
1426Q42Very low36.7Very low146 Ų146150.4 Ų150.468%0.68272%0.721SS**Hα-helixtrans-68.1-29.6-175.1-164.5168.270.100113Q1428Q1426-Q1428 VanDerWaalsContact C-N 3.34Å; Q1426-Q1428 PolarHBondContact O-N 3.33Å
1427Q41.4Very low36.7Very low153 Ų153154 Ų15472%0.71573%0.731SS**Hα-helixtrans-78.3-13.1-179.7-154.1172.959.100114Q1425Q1425-Q1427 VanDerWaalsContact C-N 3.32Å; Q1425-Q1427 PolarHBondContact O-N 3.33Å
1428Q44.8Very low36.8Very low122 Ų122155.4 Ų155.457%0.5774%0.735SS**Hα-helixtrans-86-27.3174.4-63.4-162.539.700113.1Q1425 Q1426 Q1430Q1425-Q1428 PolarHBondContact O-N 3.22Å; Q1426-Q1428 VanDerWaalsContact C-N 3.34Å; Q1426-Q1428 PolarHBondContact O-N 3.33Å; Q1428-Q1430 PolarHBondContact O-N 3.17Å
1429Q43.1Very low36.8Very low138 Ų138152.5 Ų152.565%0.64573%0.733SS**Hα-helixtrans-69.9-29.4-179-70.9-172.9-10.500113.4Q1431 Q1432Q1429-Q1431 PolarHBondContact O-N 3.43Å; Q1429-Q1432 PolarHBondContact O-N 2.96Å
1430Q41.8Very low36.7Very low151 Ų151153 Ų15371%0.70674%0.736SS**THydrogen-bonded Turntrans-73.4-20.2-178.7-73.5-171.4-1000114.6Q1428Q1428-Q1430 PolarHBondContact O-N 3.17Å
1431Q43.1Very low36.4Very low146 Ų146151.7 Ų151.768%0.68273%0.734SS**THydrogen-bonded Turntrans-88-8.9176.1-70.7-164.7-3.900114.3Q1429Q1429-Q1431 PolarHBondContact O-N 3.43Å
1432Q41.3Very low36.2Very low154 Ų154151.5 Ų151.572%0.7274%0.738SS**SBendtrans-88.4-7174.9-68.8-170.5-5.900113.9Q1429Q1429-Q1432 PolarHBondContact O-N 2.96Å
1433Q40Very low35.8Very low168 Ų168154.9 Ų154.979%0.78575%0.745SS**SBendtrans-92.36-179.1-67.6-169-5.200115.2
1434Q37.7Very low35.1Very low180 Ų180153.8 Ų153.884%0.84174%0.743SS**SBendtrans-114.85.8178.3-72.8-167.1-200115.6
1435Q31.8Very low34.6Very low163 Ų163151.9 Ų151.976%0.76275%0.746SS**SBendtrans-13561.3168-69.8-167.4-4.900112.1
1436Q27.4Very low33.9Very low175 Ų175152.1 Ų152.182%0.81875%0.75SS**  trans-129.775.3157.1-72.9-165.921.300109.9
1437Q30.3Very low33.1Very low180 Ų180153.7 Ų153.784%0.84175%0.754SS**  trans-158.8152.4164.2-123161.187.200110.5
1438M28.1Very low32.5Very low163 Ų163155 Ų15580%0.80376%0.76SS**  trans64.267.8177.3-50.1-45.9-66.700116.4
1439T27.5Very low31.7Very low127 Ų127156.3 Ų156.378%0.77977%0.771SS**  trans-54.2141.4144.444.60000111.1P1441T1439-P1441 WeakPolarHBondContact O-CD 3.24Å
1440I30.3Very low30.8Very low165 Ų165157.2 Ų157.285%0.84678%0.775SS**  trans-79.6136165.2-56.9168.7000109.1
1441P28.1Very low30.1Very low99 Ų99156.3 Ų156.364%0.64378%0.775SS**  trans-114.5157.1150.736.5-28.1000111.8T1439T1439-P1441 WeakPolarHBondContact O-CD 3.24Å
1442D24.5Very low29.3Very low157 Ų157154.9 Ų154.984%0.8477%0.772SS**  trans-56.4153.3177-70.1-69.5000113.8
1443Y25.7Very low28.7Very low225 Ų225155 Ų15588%0.88277%0.772SS**  trans-131.4114.7158.4-104.3-87.4000110.7
1444S26.5Very low28.1Very low105 Ų105153.3 Ų153.373%0.73477%0.768SS**  trans-123.7104.2159.338.70000107.8
1445D28.5Very low27.7Very low145 Ų145150.3 Ų150.378%0.77576%0.758SS**  trans29.3142.3154.1-47.9-36.2000119.6
1446I27.2Very low27.5Very low132 Ų132149 Ų14968%0.67775%0.752SS**  -175.113672.8-85.7-177.1000109.5
1447K25.8Very low27.7Very low179 Ų179147 Ų14778%0.77874%0.742SS**  trans65.3156.9163.7-69160.2-161.6166.70116.6
1448E29.5Very low27.5Very low180 Ų180146.6 Ų146.684%0.84173%0.733SS**  cis-133.9-171.517.6-150.2145.3-11400113.8
1449L27.4Very low27.5Very low150 Ų150149.6 Ų149.679%0.78574%0.737SS**  trans-111.6147.8-153.5-75.4164.7000116.4
1450H24.6Very low27.6Very low157 Ų157148.2 Ų148.273%0.72773%0.732SS**  trans31.7125.3143.9-10076.1000120.5
1451N27.2Very low27.8Very low133 Ų133148.9 Ų148.971%0.71173%0.732SS**  177.3132.3105.1-87.6-35.5000114.8
1452N26.8Very low27.9Very low116 Ų116149.4 Ų149.462%0.6274%0.738SS**  trans64.8100.8132-57.37.1000123.2
1453E28.2Very low27.9Very low156 Ų156150.7 Ų150.773%0.72974%0.739SS**  83.1133.9105.8-81.7-174.8140.700125.2
1454L27Very low27.9Very low133 Ų133144.4 Ų144.470%0.69673%0.733SS**  trans75.1146.7141.8-63.5166.3000118.9
1455D29.6Very low28Very low116 Ų116146.9 Ų146.962%0.6273%0.731SS**  cis-160.1168.72.5-142.2-12.5000117.4
1456Q26.9Very low27.7Very low137 Ų137149.4 Ų149.464%0.6473%0.731SS**  trans87.7150.1140-92165.57600125.9
1457E31.2Very low27.6Very low131 Ų131149.2 Ų149.261%0.61274%0.736SS**  trans78.6142.3173.2-54.3-44.486.900122.9
1458R26.6Very low27.7Very low173 Ų173146.3 Ų146.365%0.65373%0.734SS**  168.497.8-69.4175-133.2-53.5-102-5.5112.8
1459Y27.9Very low27.6Very low225 Ų225145.3 Ų145.388%0.88273%0.729SS**  trans-159.6123159-123.8-83.1000114
1460S30.8Very low27.5Very low98 Ų98146.5 Ų146.569%0.68573%0.734SS**SBendtrans54.3140.8168.1-60.70000120.4
1461Q33Very low27.5Very low180 Ų180145.3 Ų145.384%0.84173%0.732SS**  cis-162.7144.6-17.4-99.9-178.710.800105.4
1462S31.8Very low27.8Very low109 Ų109143.4 Ų143.476%0.76273%0.727SS**  cis-161.9149.4-13.944.60000109.3
1463Q23.7Very low27.9Very low185 Ų185144.4 Ų144.486%0.86473%0.732SS**  trans-85.1166.6-177-63.9176.5-7.600113.4
1464A26.2Very low27.7Very low92 Ų92142.1 Ų142.176%0.7673%0.729SS**  trans-81.7154.5161.300000111.5
1465K27.2Very low27.9Very low158 Ų158142.6 Ų142.669%0.68773%0.731SS**  trans-168.1135.1143.1-111.6169.6179-170.50115.8
1466Y23.7Very low27.7Very low197 Ų197142.5 Ų142.577%0.77373%0.73SS**  trans64.3138.7155.8-56.2-52.5000122.9
1467T24.1Very low27.7Very low128 Ų128142.8 Ų142.879%0.78573%0.731SS**  trans-101.3154163.850.30000110.4
1468T28.9Very low27.5Very low119 Ų119142.4 Ų142.473%0.7374%0.738SS**  172119.9115.6-78.10000111.5
1469E25.7Very low27.7Very low159 Ų159139.5 Ų139.574%0.74374%0.744SS**  trans33.3118.2152.8-61.1175.1-157.900122.5I1471E1469-I1471 HydrophobicContact CG-CD1 4.49Å
1470I26Very low27.7Very low174 Ų174135.7 Ų135.789%0.89274%0.74SS**  -136146.2118-64.5-169000108.5
1471I25.9Very low27.7Very low132 Ų132140.6 Ų140.668%0.67775%0.748SS**  trans-142.1159.7-172.4-59.8171.1000107.1E1469E1469-I1471 HydrophobicContact CG-CD1 4.49Å
1472P33.4Very low27.4Very low94 Ų94136.2 Ų136.261%0.6174%0.738SS**  cis-123.5175.8-25.133.3-15.9000113.4
1473N28.2Very low27.1Very low137 Ų137139.9 Ų139.973%0.73375%0.745SS**  171.9122.3111-96-55.9000115.8
1474T24.4Very low27.3Very low107 Ų107139.8 Ų139.866%0.65675%0.745SS**  29.2121116.5-31.90000119.5
1475I30Very low27.1Very low144 Ų144140.3 Ų140.374%0.73874%0.743SS**  177.5116.7119.3-93.5166.3000110.9
1476N26.4Very low27.2Very low114 Ų114139.6 Ų139.661%0.6175%0.751SS**  trans45.6146.7131.3-57.5-26.7000121.6
1477Q26Very low27.2Very low142 Ų142137.5 Ų137.566%0.66475%0.748SS**  cis-175.2165.82.2-116.4164.227.300111.5
1478T27.5Very low27.6Very low123 Ų123137.5 Ų137.576%0.75575%0.751SS**  trans66.4156.115252.40000118.7
1479S30.5Very low27.5Very low112 Ų112139.7 Ų139.778%0.78375%0.753SS**  cis-134.2158.414.357.50000115.3
1480N27.2Very low27.4Very low146 Ų146140.8 Ų140.878%0.78176%0.758SS**  trans-89.6161.1-171.9-48.4-54.2000114.6
1481K31Very low27.5Very low200 Ų200138.7 Ų138.787%0.8776%0.756SS**  174.3154.1129-95.4171.8-180-177.20111.1
1482S27.2Very low27.4Very low89 Ų89140.2 Ų140.262%0.62276%0.76SS**  cis179.1126.6-46.647.90000110.1
1483M25.2Very low27.2Very low185 Ų185141.6 Ų141.691%0.91177%0.769SS**  trans65.3151.6170.3-56.1173.673.400113.5
1484E27.8Very low27.3Very low184 Ų184143.4 Ų143.486%0.8677%0.773SS**  cis-142.3-168.636.2-167.7155.2-154.700112.9
1485S23.4Very low27.3Very low102 Ų102145.7 Ų145.771%0.71378%0.776SS**  trans-86151.7-164.558.90000116.9
1486V29.6Very low27.3Very low143 Ų143146.3 Ų146.387%0.86778%0.776SS**  trans-166.3162.1130.81350000110.6
1487Q23.6Very low27.2Very low153 Ų153149 Ų14972%0.71579%0.785SS**PPolyproline II helixtrans-72.5144.4-173.7-58.6163.8-13.100114.1
1488P32.1Very low27.3Very low129 Ų129145.8 Ų145.884%0.83878%0.778SS**PPolyproline II helixtrans-81.7122.2153.432.2-28.8000110
1489Q26Very low27.7Very low165 Ų165147.9 Ų147.977%0.77179%0.785SS**PPolyproline II helixtrans-82.9168.9177.3-69-179.4-13.400112.3
1490Q24.2Very low28.2Very low181 Ų181148.2 Ų148.285%0.84677%0.774SS**PPolyproline II helixtrans-60.5143.2173.2-65.7165.1-38.800110.9Q1492Q1490-Q1492 PolarHBondContact O-N 3.3Å; Q1490-Q1492 VanDerWaalsContact O-N 3.15Å
1491P28.3Very low29.4Very low131 Ų131148.2 Ų148.285%0.85177%0.769SS**  trans-69.7111.3175.728.5-33.3000110.5
1492Q23.4Very low31.5Very low163 Ų163142 Ų14276%0.76275%0.751SS**PPolyproline II helixtrans-73.4145.5164.7-67.4-175.2-10.100110Q1490 Q1494Q1490-Q1492 PolarHBondContact O-N 3.3Å; Q1490-Q1492 VanDerWaalsContact O-N 3.15Å; Q1492-Q1494 PolarHBondContact O-N 3.36Å
1493P29.8Very low34.2Very low123 Ų123142.1 Ų142.180%0.79974%0.74SS**PPolyproline II helixtrans-57.7136.9167.2-22.433.9000110.9Q1495P1493-Q1495 PolarHBondContact O-N 3.49Å
1494Q28.8Very low37.2Very low175 Ų175137.5 Ų137.582%0.81872%0.718SS**PPolyproline II helixtrans-71.7124.9-175.8-69.4-179.2-13.200111.6Q1492 Q1496Q1492-Q1494 PolarHBondContact O-N 3.36Å; Q1494-Q1496 PolarHBondContact O-N 3.08Å; Q1494-Q1496 VanDerWaalsContact O-N 3.12Å
1495Q25.9Very low40.2Very low155 Ų155129.2 Ų129.272%0.72468%0.68SS**  trans-72.599.9169.1-64.6-176.810.700110.3P1493 Q1497P1493-Q1495 PolarHBondContact O-N 3.49Å; Q1495-Q1497 HydrophobicContact CB-CG 4.42Å; Q1495-Q1497 PolarHBondContact O-N 3.37Å; Q1495-Q1497 VanDerWaalsContact O-N 3.11Å; Q1495-Q1497 VanDerWaalsContact OE1-NE2 3.14Å
1496Q28.5Very low43.3Very low158 Ų158127.1 Ų127.174%0.73866%0.66SS**  trans-78.886.6163.8-70-164.26.600110Q1494 S1498Q1494-Q1496 PolarHBondContact O-N 3.08Å; Q1494-Q1496 VanDerWaalsContact O-N 3.12Å; Q1496-S1498 VanDerWaalsContact C-N 3.29Å; Q1496-S1498 PolarHBondContact O-N 3.34Å
1497Q26Very low46.3Very low169 Ų169120.4 Ų120.479%0.7962%0.619SS**  trans-7579171.6-67.7-171.42.600110.9Q1495Q1495-Q1497 HydrophobicContact CB-CG 4.42Å; Q1495-Q1497 PolarHBondContact O-N 3.37Å; Q1495-Q1497 VanDerWaalsContact O-N 3.11Å; Q1495-Q1497 VanDerWaalsContact OE1-NE2 3.14Å
1498S26.9Very low49.4Very low75 Ų75116.6 Ų116.652%0.52460%0.603SS.*  trans-110.959.1178.851.10000113Q1496 Q1500Q1496-S1498 VanDerWaalsContact C-N 3.29Å; Q1496-S1498 PolarHBondContact O-N 3.34Å; S1498-Q1500 VanDerWaalsContact C-N 3.34Å; S1498-Q1500 PolarHBondContact O-N 3.1Å; S1498-Q1500 VanDerWaalsContact O-N 3.11Å
1499N35.4Very low52.1Low167 Ų167117 Ų11789%0.89359%0.589SS**  trans52.440.2159.3-155.631.2000116.2
1500Q41.5Very low55.1Low120 Ų120113.7 Ų113.756%0.56158%0.576SS**  trans-70.1134.3-178.5-70.8-179.6-15.300112.4S1498 S1502 G1538S1498-Q1500 VanDerWaalsContact C-N 3.34Å; S1498-Q1500 PolarHBondContact O-N 3.1Å; S1498-Q1500 VanDerWaalsContact O-N 3.11Å; Q1500-S1502 PolarHBondContact O-N 3.46Å; Q1500-G1538 VanDerWaalsContact CD-CA 3.49Å; Q1500-G1538 VanDerWaalsContact OE1-CA 3.26Å
1501Q53.3Low58.3Low146 Ų146105.5 Ų105.568%0.68254%0.538SS*.  trans-70.6110.7176.1-72.3-176.2-9.600111.2K1503Q1501-K1503 PolarHBondContact O-N 3.41Å
1502S74.8Confident61.2Low69 Ų69102.2 Ų102.248%0.48351%0.513SS..  trans-68.4126.7167.658.40000110.8Q1500 V1536Q1500-S1502 PolarHBondContact O-N 3.46Å; S1502-V1536 CarbonylContact C-O 3.51Å; S1502-V1536 VanDerWaalsContact CA-O 3.25Å; S1502-V1536 WeakPolarHBondContact CA-O 3.39Å
1503K82.8Confident64.2Low91 Ų9194.7 Ų94.740%0.39648%0.478SS..EExtended strand (participates in β ladder)trans-114.8140.1177.2-68.9167.2-176.5161.10109.9Q1501 V1536Q1501-K1503 PolarHBondContact O-N 3.41Å; K1503-V1536 HydrophobicContact CB-CG2 4.05Å; K1503-V1536 PolarHBondContact N-O 2.92Å; K1503-V1536 WeakPolarHBondContact O-CG2 3.45Å; K1503-V1536 PolarHBondContact O-N 3.45Å
1504I88.2Confident66.6Low89 Ų8995 Ų9546%0.45647%0.469SS..EExtended strand (participates in β ladder)trans-89.1124171.4-59.3176000108.2Q1533 C1566I1504-Q1533 HydrophobicContact CG2-CB 4.12Å; I1504-Q1533 HydrophobicContact CG2-CG 4.36Å; I1504-C1566 WeakPolarHBondContact O-CB 3.43Å; I1504-C1566 PolarHBondContact O-N 3.05Å; I1504-C1566 PolarHBondContact O-SG 3.37Å
1505M91.7Very high69.2Low10 Ų1090.9 Ų90.95%0.04946%0.455CS..EExtended strand (participates in β ladder)trans-117.7157.1172.4-59.6-175.881.500109.7Q1533 I1534 V1536 Y1546 L1563 H1564M1505-Q1533 WeakPolarHBondContact O-CA 3.35Å; M1505-I1534 PolarHBondContact N-O 3.32Å; M1505-I1534 PolarHBondContact O-N 3.03Å; M1505-V1536 HydrophobicContact CG-CG2 3.89Å; M1505-V1536 HydrophobicContact SD-CG1 4.36Å; M1505-V1536 HydrophobicContact SD-CG2 3.64Å; M1505-Y1546 HydrophobicContact CE-CE2 4.43Å; M1505-Y1546 HydrophobicContact SD-CD2 4.43Å; M1505-Y1546 HydrophobicContact SD-CE2 4.1Å; M1505-L1563 HydrophobicContact CB-CB 4.03Å; M1505-L1563 HydrophobicContact CB-CD1 4.41Å; M1505-L1563 HydrophobicContact CE-CB 3.57Å; M1505-L1563 HydrophobicContact SD-CB 3.88Å; M1505-L1563 HydrophobicContact SD-CD1 3.87Å; M1505-H1564 CarbonylContact C-O 3.59Å; M1505-H1564 VanDerWaalsContact CA-O 3.22Å; M1505-H1564 WeakPolarHBondContact CA-O 3.35Å; M1505-H1564 WeakPolarHBondContact CB-O 3.37Å
1506I89.7Confident71.7Confident58 Ų5887.8 Ų87.830%0.29744%0.443SS..EExtended strand (participates in β ladder)trans-106132.5171.3-74.6163.9000108.8I1508 E1532 Q1533 L1563 H1564I1506-I1508 PolarHBondContact O-N 3.45Å; I1506-E1532 CarbonylContact C-O 3.57Å; I1506-E1532 WeakPolarHBondContact CA-O 3.46Å; I1506-Q1533 HydrophobicContact CD1-CG 4.45Å; I1506-Q1533 HydrophobicContact CG1-CG 3.75Å; I1506-L1563 CarbonylContact O-C 3.5Å; I1506-L1563 WeakPolarHBondContact O-CA 3.45Å; I1506-H1564 PolarHBondContact N-O 2.86Å; I1506-H1564 PolarHBondContact O-N 2.87Å
1507A91.7Very high74.1Confident1 Ų181.2 Ų81.21%0.00842%0.415CS..EExtended strand (participates in β ladder)trans-66.6126.617000000110.6F1528 R1529 G1531 E1532 F1562 L1563A1507-F1528 HydrophobicContact CB-CD2 3.39Å; A1507-F1528 HydrophobicContact CB-CE2 3.6Å; A1507-F1528 HydrophobicContact CB-CG 4.47Å; A1507-R1529 VanDerWaalsContact CB-O 3.27Å; A1507-R1529 WeakPolarHBondContact CB-O 3.49Å; A1507-G1531 PolarHBondContact O-N 3.17Å; A1507-E1532 PolarHBondContact N-O 3.29Å; A1507-F1562 CarbonylContact C-O 3.5Å; A1507-F1562 VanDerWaalsContact CA-O 3.32Å; A1507-F1562 WeakPolarHBondContact CA-O 3.49Å; A1507-L1563 HydrophobicContact CB-CD2 4.37Å
1508I89Confident76.2Confident73 Ų7378.7 Ų78.737%0.37441%0.413SS..SBendtrans-95.1-13.5-179.653.3163.8000113.6I1506 F1562 H1564I1506-I1508 PolarHBondContact O-N 3.45Å; I1508-F1562 VanDerWaalsContact CG1-O 3.31Å; I1508-F1562 WeakPolarHBondContact CG1-O 3.34Å; I1508-F1562 PolarHBondContact N-O 3.2Å; I1508-H1564 HydrophobicContact CG2-CB 3.76Å
1509Y88.4Confident78.3Confident139 Ų13978.5 Ų78.555%0.54541%0.406SS..SBendtrans-140160.5175-57.2-60.7000110.2F1562Y1509-F1562 HydrophobicContact CD2-CD1 4.44Å
1510D89.5Confident79.9Confident95 Ų9575.3 Ų75.351%0.50840%0.403SS..  trans-69.5141.7169-62.7-40.2000110.3R1529 A1530D1510-R1529 VanDerWaalsContact OD1-CA 3.25Å; D1510-R1529 WeakPolarHBondContact OD1-CA 3.47Å; D1510-R1529 WeakPolarHBondContact OD1-CB 3.26Å; D1510-A1530 PolarHBondContact OD1-N 3.36Å
1511Y90.8Very high81.4Confident8 Ų873.7 Ų73.73%0.03140%0.399CS..BIsolated β-bridgetrans-130.5120174.9-161.8-117.4000112.5P1513 L1516 E1525 S1527 F1528 P1559 F1562Y1511-P1513 HydrophobicContact CD1-CG 4.03Å; Y1511-P1513 HydrophobicContact CE1-CB 4.45Å; Y1511-P1513 HydrophobicContact CE1-CG 3.85Å; Y1511-L1516 HydrophobicContact CD2-CB 3.95Å; Y1511-L1516 HydrophobicContact CD2-CD1 3.85Å; Y1511-L1516 HydrophobicContact CE2-CB 3.59Å; Y1511-L1516 HydrophobicContact CE2-CD1 4.34Å; Y1511-E1525 WeakPolarHBondContact CE1-OE2 3.31Å; Y1511-E1525 PolarHBondContact OH-OE2 3.12Å; Y1511-S1527 WeakPolarHBondContact O-CA 3.47Å; Y1511-S1527 WeakPolarHBondContact O-CB 3.44Å; Y1511-S1527 PolarHBondContact O-OG 3.34Å; Y1511-F1528 VanDerWaalsContact CB-CE1 3.5Å; Y1511-F1528 HydrophobicContact CD1-CD1 4.43Å; Y1511-F1528 AromaticContact CD1-CE1 3.67Å; Y1511-F1528 HydrophobicContact CD1-CE1 3.67Å; Y1511-F1528 HydrophobicContact CD1-CZ 4.05Å; Y1511-F1528 AromaticContact CG-CE1 3.89Å; Y1511-F1528 HydrophobicContact CG-CE1 3.89Å; Y1511-F1528 AromaticContact CG-CZ 3.82Å; Y1511-F1528 HydrophobicContact CG-CZ 3.82Å; Y1511-F1528 PolarHBondContact N-O 3.17Å; Y1511-F1528 PolarHBondContact O-N 2.96Å; Y1511-F1528 VanDerWaalsContact O-N 3.12Å; Y1511-P1559 HydrophobicContact CD1-CG 4.12Å; Y1511-P1559 HydrophobicContact CD2-CG 4.27Å; Y1511-P1559 HydrophobicContact CE1-CG 3.75Å; Y1511-P1559 HydrophobicContact CE2-CG 3.94Å; Y1511-P1559 HydrophobicContact CG-CG 4.36Å; Y1511-F1562 AromaticContact CD2-CD1 3.79Å; Y1511-F1562 HydrophobicContact CD2-CD1 3.79Å; Y1511-F1562 HydrophobicContact CD2-CD2 4.34Å; Y1511-F1562 AromaticContact CD2-CE1 3.5Å; Y1511-F1562 HydrophobicContact CD2-CE1 3.5Å; Y1511-F1562 HydrophobicContact CD2-CE2 4.08Å; Y1511-F1562 HydrophobicContact CD2-CG 4.23Å; Y1511-F1562 AromaticContact CD2-CZ 3.66Å; Y1511-F1562 HydrophobicContact CD2-CZ 3.66Å; Y1511-F1562 HydrophobicContact CE2-CE1 4.23Å; Y1511-F1562 HydrophobicContact CE2-CE2 4.05Å; Y1511-F1562 AromaticContact CE2-CZ 3.9Å; Y1511-F1562 HydrophobicContact CE2-CZ 3.9Å; Y1511-F1562 HydrophobicContact CG-CD1 4.26Å; Y1511-F1562 HydrophobicContact CG-CE1 4.37Å
1512D89.4Confident82.6Confident63 Ų6368.9 Ų68.934%0.33738%0.377SS..  trans-120.9104.1170.9-179.9-9.2000107.4H1514 V1515 L1516D1512-H1514 PolarHBondContact O-N 3.21Å; D1512-H1514 WeakPolarHBondContact OD1-CB 3.31Å; D1512-H1514 IonicContact OD1-CD2 2.93Å; D1512-H1514 IonicContact OD1-CG 2.79Å; D1512-H1514 PolarHBondContact OD1-N 2.99Å; D1512-V1515 HydrophobicContact CB-CB 4.31Å; D1512-V1515 HydrophobicContact CB-CG2 4.41Å; D1512-V1515 PolarHBondContact O-N 2.9Å; D1512-V1515 WeakPolarHBondContact OD2-CG2 3.19Å; D1512-L1516 WeakPolarHBondContact O-CB 3.47Å; D1512-L1516 PolarHBondContact O-N 3.01Å
1513P85.9Confident82.9Confident5 Ų573.2 Ų73.23%0.03240%0.395CS..Hα-helixtrans-52.4-35.4179.2-29.937.3000113.5Y1511 V1515 S1517 I1522 E1525Y1511-P1513 HydrophobicContact CD1-CG 4.03Å; Y1511-P1513 HydrophobicContact CE1-CB 4.45Å; Y1511-P1513 HydrophobicContact CE1-CG 3.85Å; P1513-V1515 PolarHBondContact O-N 2.78Å; P1513-V1515 VanDerWaalsContact O-N 3.15Å; P1513-S1517 WeakPolarHBondContact O-CB 3.1Å; P1513-S1517 PolarHBondContact O-N 3.41Å; P1513-I1522 HydrophobicContact CB-CG2 3.42Å; P1513-I1522 VanDerWaalsContact CB-CG2 3.42Å; P1513-E1525 HydrophobicContact CB-CB 3.84Å; P1513-E1525 HydrophobicContact CG-CB 3.66Å
1514H81.2Confident82.9Confident128 Ų12871 Ų7159%0.59339%0.394SS*.Hα-helixtrans-69.8-11.2179.8-60.3-63.2000114.1D1512 I1522D1512-H1514 PolarHBondContact O-N 3.21Å; D1512-H1514 WeakPolarHBondContact OD1-CB 3.31Å; D1512-H1514 IonicContact OD1-CD2 2.93Å; D1512-H1514 IonicContact OD1-CG 2.79Å; D1512-H1514 PolarHBondContact OD1-N 2.99Å; H1514-I1522 WeakPolarHBondContact ND1-CG2 3.49Å
1515V82.2Confident83.1Confident89 Ų8967.6 Ų67.654%0.53938%0.376SS..Hα-helixtrans-119.9-27.1-178.3-178.80000112.2D1512 P1513D1512-V1515 HydrophobicContact CB-CB 4.31Å; D1512-V1515 HydrophobicContact CB-CG2 4.41Å; D1512-V1515 PolarHBondContact O-N 2.9Å; D1512-V1515 WeakPolarHBondContact OD2-CG2 3.19Å; P1513-V1515 PolarHBondContact O-N 2.78Å; P1513-V1515 VanDerWaalsContact O-N 3.15Å
1516L78.1Confident83Confident90 Ų9067.4 Ų67.447%0.47138%0.375SS..Hα-helixtrans-120.6-14-170.4-61.8178.3000115Y1511 D1512 F1562Y1511-L1516 HydrophobicContact CD2-CB 3.95Å; Y1511-L1516 HydrophobicContact CD2-CD1 3.85Å; Y1511-L1516 HydrophobicContact CE2-CB 3.59Å; Y1511-L1516 HydrophobicContact CE2-CD1 4.34Å; D1512-L1516 WeakPolarHBondContact O-CB 3.47Å; D1512-L1516 PolarHBondContact O-N 3.01Å; L1516-F1562 HydrophobicContact CD1-CE1 4.32Å
1517S80Confident83Confident21 Ų2167 Ų6715%0.14738%0.378CS..  trans-78.3136.5173.1-173.60000111.5P1513 N1519 E1525P1513-S1517 WeakPolarHBondContact O-CB 3.1Å; P1513-S1517 PolarHBondContact O-N 3.41Å; S1517-N1519 PolarHBondContact OG-N 2.99Å; S1517-E1525 WeakPolarHBondContact CB-OE1 3.27Å; S1517-E1525 VanDerWaalsContact CB-OE2 3.29Å; S1517-E1525 WeakPolarHBondContact CB-OE2 3.4Å; S1517-E1525 PolarHBondContact OG-OE1 2.94Å; S1517-E1525 PolarHBondContact OG-OE2 2.99Å
1518P68.8Low83.1Confident115 Ų11567.2 Ų67.275%0.74738%0.378SS*.  trans-86.4-7.9166.436.6-34.1000113.1
1519N72.8Confident83.1Confident71 Ų7172.6 Ų72.638%0.3839%0.394SS..SBendtrans-85.7167.6-172.8-71.31.1000112.1S1517 I1522S1517-N1519 PolarHBondContact OG-N 2.99Å; N1519-I1522 WeakPolarHBondContact O-CG1 3.33Å
1520A67.9Low83.2Confident101 Ų10168.5 Ų68.584%0.83539%0.389SS*.SBendtrans-92.9-24.3-177.100000112.8I1522A1520-I1522 VanDerWaalsContact C-N 3.27Å; A1520-I1522 PolarHBondContact O-N 3.06Å
1521D74Confident82.9Confident86 Ų8666.7 Ų66.746%0.4639%0.392SS..  trans-92.641.2-175.849.1-52000112.3D1523 A1524D1521-D1523 PolarHBondContact O-N 3.05Å; D1521-A1524 WeakPolarHBondContact O-CB 3.47Å; D1521-A1524 PolarHBondContact O-N 3.36Å
1522I78.3Confident82.9Confident44 Ų4468.1 Ų68.123%0.22640%0.399CS..G310 helixtrans-50.2-32.9-178.8-52.3179.7000112.4P1513 H1514 N1519 A1520 A1524 E1525P1513-I1522 HydrophobicContact CB-CG2 3.42Å; P1513-I1522 VanDerWaalsContact CB-CG2 3.42Å; H1514-I1522 WeakPolarHBondContact ND1-CG2 3.49Å; N1519-I1522 WeakPolarHBondContact O-CG1 3.33Å; A1520-I1522 VanDerWaalsContact C-N 3.27Å; A1520-I1522 PolarHBondContact O-N 3.06Å; I1522-A1524 PolarHBondContact O-N 3.05Å; I1522-E1525 PolarHBondContact O-N 3.22Å; I1522-E1525 VanDerWaalsContact O-N 3.13Å
1523D80Confident82.9Confident160 Ų16068.6 Ų68.686%0.85640%0.399SS*.G310 helixtrans-66.4-14.8178.7-60.6-23.6000114.1D1521D1521-D1523 PolarHBondContact O-N 3.05Å
1524A84.3Confident83.2Confident46 Ų4668.3 Ų68.338%0.3840%0.398SS..G310 helixtrans-89.8-12.3174.900000113.2D1521 I1522 G1556 L1557D1521-A1524 WeakPolarHBondContact O-CB 3.47Å; D1521-A1524 PolarHBondContact O-N 3.36Å; I1522-A1524 PolarHBondContact O-N 3.05Å; A1524-G1556 CarbonylContact O-C 3.57Å; A1524-G1556 WeakPolarHBondContact O-CA 3.43Å; A1524-L1557 PolarHBondContact O-N 3.19Å
1525E91.2Very high83.7Confident17 Ų1764.1 Ų64.18%0.07938%0.381CS..BIsolated β-bridgetrans-93.6150.9-176.4-66.3179.6-146.500112.9Y1511 P1513 S1517 I1522 F1545 L1557Y1511-E1525 WeakPolarHBondContact CE1-OE2 3.31Å; Y1511-E1525 PolarHBondContact OH-OE2 3.12Å; P1513-E1525 HydrophobicContact CB-CB 3.84Å; P1513-E1525 HydrophobicContact CG-CB 3.66Å; S1517-E1525 WeakPolarHBondContact CB-OE1 3.27Å; S1517-E1525 VanDerWaalsContact CB-OE2 3.29Å; S1517-E1525 WeakPolarHBondContact CB-OE2 3.4Å; S1517-E1525 PolarHBondContact OG-OE1 2.94Å; S1517-E1525 PolarHBondContact OG-OE2 2.99Å; I1522-E1525 PolarHBondContact O-N 3.22Å; I1522-E1525 VanDerWaalsContact O-N 3.13Å; E1525-F1545 HydrophobicContact CG-CE1 4.47Å; E1525-L1557 WeakPolarHBondContact CA-O 3.45Å; E1525-L1557 HydrophobicContact CG-CB 4.36Å
1526L89.9Confident84.2Confident6 Ų659.9 Ų59.93%0.03136%0.356CS..PPolyproline II helixtrans-97.2124.2-175.1-167.861.3000111.5F1528 I1534 T1550 R1554 L1557 V1558L1526-F1528 WeakPolarHBondContact O-CD1 3.5Å; L1526-F1528 WeakPolarHBondContact O-CE1 3.36Å; L1526-I1534 HydrophobicContact CD2-CG2 4.37Å; L1526-T1550 HydrophobicContact CD1-CG2 4.09Å; L1526-T1550 HydrophobicContact CD2-CG2 3.73Å; L1526-T1550 HydrophobicContact CG-CG2 3.91Å; L1526-R1554 HydrophobicContact CD1-CB 3.77Å; L1526-R1554 WeakPolarHBondContact CD1-O 3.45Å; L1526-L1557 PolarHBondContact N-O 3.31Å; L1526-V1558 HydrophobicContact CB-CG2 4.02Å; L1526-V1558 HydrophobicContact CD2-CG2 3.77Å
1527S90.6Very high84.8Confident50 Ų5059 Ų5935%0.3535%0.347SS..PPolyproline II helixtrans-86.4133.8169.3-176.10000112.2Y1511 R1554Y1511-S1527 WeakPolarHBondContact O-CA 3.47Å; Y1511-S1527 WeakPolarHBondContact O-CB 3.44Å; Y1511-S1527 PolarHBondContact O-OG 3.34Å; S1527-R1554 PolarHBondContact O-NH1 3.48Å
1528F93.4Very high84.9Confident4 Ų458.3 Ų58.32%0.01834%0.342CS..BIsolated β-bridgetrans-153.3169.1-17556.8-96000111.6A1507 Y1511 L1526 E1532 I1534 T1550 V1558 F1562 L1563A1507-F1528 HydrophobicContact CB-CD2 3.39Å; A1507-F1528 HydrophobicContact CB-CE2 3.6Å; A1507-F1528 HydrophobicContact CB-CG 4.47Å; Y1511-F1528 VanDerWaalsContact CB-CE1 3.5Å; Y1511-F1528 HydrophobicContact CD1-CD1 4.43Å; Y1511-F1528 AromaticContact CD1-CE1 3.67Å; Y1511-F1528 HydrophobicContact CD1-CE1 3.67Å; Y1511-F1528 HydrophobicContact CD1-CZ 4.05Å; Y1511-F1528 AromaticContact CG-CE1 3.89Å; Y1511-F1528 HydrophobicContact CG-CE1 3.89Å; Y1511-F1528 AromaticContact CG-CZ 3.82Å; Y1511-F1528 HydrophobicContact CG-CZ 3.82Å; Y1511-F1528 PolarHBondContact N-O 3.17Å; Y1511-F1528 PolarHBondContact O-N 2.96Å; Y1511-F1528 VanDerWaalsContact O-N 3.12Å; L1526-F1528 WeakPolarHBondContact O-CD1 3.5Å; L1526-F1528 WeakPolarHBondContact O-CE1 3.36Å; F1528-E1532 VanDerWaalsContact CA-OE2 3.27Å; F1528-E1532 WeakPolarHBondContact CA-OE2 3.48Å; F1528-E1532 WeakPolarHBondContact CB-OE2 3.45Å; F1528-I1534 HydrophobicContact CB-CD1 3.67Å; F1528-I1534 HydrophobicContact CD1-CD1 3.57Å; F1528-I1534 HydrophobicContact CD2-CD1 3.89Å; F1528-I1534 HydrophobicContact CE1-CD1 4.15Å; F1528-I1534 HydrophobicContact CE2-CD1 4.4Å; F1528-I1534 HydrophobicContact CG-CD1 3.43Å; F1528-I1534 VanDerWaalsContact CG-CD1 3.43Å; F1528-T1550 HydrophobicContact CB-CG2 4.36Å; F1528-V1558 HydrophobicContact CD1-CG1 3.97Å; F1528-V1558 HydrophobicContact CE1-CG1 3.36Å; F1528-V1558 HydrophobicContact CZ-CG1 3.9Å; F1528-F1562 HydrophobicContact CE2-CB 3.96Å; F1528-F1562 HydrophobicContact CE2-CD1 4.5Å; F1528-F1562 HydrophobicContact CZ-CB 3.71Å; F1528-F1562 HydrophobicContact CZ-CD1 4.48Å; F1528-F1562 HydrophobicContact CZ-CG 4.34Å; F1528-L1563 HydrophobicContact CE2-CD2 4.47Å; F1528-L1563 HydrophobicContact CZ-CD2 4.41Å
1529R89Confident85.3Confident186 Ų18659.2 Ų59.270%0.70234%0.341SS*.  trans-116.1157.5-179.5-71.8-170173.4-145.6-3.1114.5A1507 D1510 G1531 E1532A1507-R1529 VanDerWaalsContact CB-O 3.27Å; A1507-R1529 WeakPolarHBondContact CB-O 3.49Å; D1510-R1529 VanDerWaalsContact OD1-CA 3.25Å; D1510-R1529 WeakPolarHBondContact OD1-CA 3.47Å; D1510-R1529 WeakPolarHBondContact OD1-CB 3.26Å; R1529-G1531 PolarHBondContact O-N 3.05Å; R1529-E1532 PolarHBondContact N-OE2 3.22Å; R1529-E1532 WeakPolarHBondContact O-CB 3.26Å; R1529-E1532 PolarHBondContact O-N 3.17Å
1530A89.2Confident85.9Confident53 Ų5360.2 Ų60.244%0.43835%0.345SS..THydrogen-bonded Turntrans-57.6129.6173.500000111.2D1510 E1532D1510-A1530 PolarHBondContact OD1-N 3.36Å; A1530-E1532 VanDerWaalsContact C-N 3.35Å
1531G84Confident86.8Confident57 Ų5758 Ų5859%0.58832%0.319SS*.THydrogen-bonded Turntrans87.5-6.8-174.400000115A1507 R1529A1507-G1531 PolarHBondContact O-N 3.17Å; R1529-G1531 PolarHBondContact O-N 3.05Å
1532E90.1Very high86.9Confident38 Ų3862.4 Ų62.418%0.17834%0.342CS..  trans-69.8143.6174.3-164.8170.4171.400110.9I1506 A1507 F1528 R1529 A1530 T1550I1506-E1532 CarbonylContact C-O 3.57Å; I1506-E1532 WeakPolarHBondContact CA-O 3.46Å; A1507-E1532 PolarHBondContact N-O 3.29Å; F1528-E1532 VanDerWaalsContact CA-OE2 3.27Å; F1528-E1532 WeakPolarHBondContact CA-OE2 3.48Å; F1528-E1532 WeakPolarHBondContact CB-OE2 3.45Å; R1529-E1532 PolarHBondContact N-OE2 3.22Å; R1529-E1532 WeakPolarHBondContact O-CB 3.26Å; R1529-E1532 PolarHBondContact O-N 3.17Å; A1530-E1532 VanDerWaalsContact C-N 3.35Å; E1532-T1550 VanDerWaalsContact OE1-CB 3.24Å; E1532-T1550 WeakPolarHBondContact OE1-CB 3.48Å; E1532-T1550 VanDerWaalsContact OE1-CG2 3.28Å; E1532-T1550 WeakPolarHBondContact OE1-CG2 3.42Å
1533Q89.6Confident86.9Confident73 Ų7367.1 Ų67.134%0.34137%0.368SS..EExtended strand (participates in β ladder)trans-96.6127.6174.2-68.2174.2-61.100109.4I1504 M1505 I1506 K1551I1504-Q1533 HydrophobicContact CG2-CB 4.12Å; I1504-Q1533 HydrophobicContact CG2-CG 4.36Å; M1505-Q1533 WeakPolarHBondContact O-CA 3.35Å; I1506-Q1533 HydrophobicContact CD1-CG 4.45Å; I1506-Q1533 HydrophobicContact CG1-CG 3.75Å; Q1533-K1551 VanDerWaalsContact OE1-CE 3.25Å
1534I92.3Very high87.1Confident0 Ų060.1 Ų60.10%033%0.334CS..EExtended strand (participates in β ladder)trans-118.2131.4-179.9-59.7-178.5000108M1505 L1526 F1528 V1536 E1549 V1558 L1563M1505-I1534 PolarHBondContact N-O 3.32Å; M1505-I1534 PolarHBondContact O-N 3.03Å; L1526-I1534 HydrophobicContact CD2-CG2 4.37Å; F1528-I1534 HydrophobicContact CB-CD1 3.67Å; F1528-I1534 HydrophobicContact CD1-CD1 3.57Å; F1528-I1534 HydrophobicContact CD2-CD1 3.89Å; F1528-I1534 HydrophobicContact CE1-CD1 4.15Å; F1528-I1534 HydrophobicContact CE2-CD1 4.4Å; F1528-I1534 HydrophobicContact CG-CD1 3.43Å; F1528-I1534 VanDerWaalsContact CG-CD1 3.43Å; I1534-V1536 HydrophobicContact CG2-CG1 4.2Å; I1534-E1549 WeakPolarHBondContact CA-O 3.37Å; I1534-V1558 HydrophobicContact CD1-CG1 3.9Å; I1534-V1558 HydrophobicContact CG2-CG1 4.44Å; I1534-V1558 HydrophobicContact CG2-CG2 4.3Å; I1534-L1563 HydrophobicContact CD1-CD2 3.99Å
1535T92.1Very high87.5Confident39 Ų3959.2 Ų59.224%0.23932%0.321CS..EExtended strand (participates in β ladder)trans-88.9109172.3-53.90000107.5Y1537 G1548 E1549T1535-Y1537 HydrophobicContact CG2-CE1 4.19Å; T1535-Y1537 HydrophobicContact CG2-CE2 4.08Å; T1535-G1548 CarbonylContact O-C 3.54Å; T1535-G1548 VanDerWaalsContact O-CA 3.24Å; T1535-G1548 WeakPolarHBondContact O-CA 3.48Å; T1535-E1549 PolarHBondContact N-O 2.91Å; T1535-E1549 PolarHBondContact O-N 3.36Å
1536V93.4Very high87.6Confident1 Ų160.4 Ų60.41%0.00633%0.325CS..EExtended strand (participates in β ladder)trans-92.9143.2174.9-680000110.8S1502 K1503 M1505 I1534 Y1546 Y1547 L1563S1502-V1536 CarbonylContact C-O 3.51Å; S1502-V1536 VanDerWaalsContact CA-O 3.25Å; S1502-V1536 WeakPolarHBondContact CA-O 3.39Å; K1503-V1536 HydrophobicContact CB-CG2 4.05Å; K1503-V1536 PolarHBondContact N-O 2.92Å; K1503-V1536 WeakPolarHBondContact O-CG2 3.45Å; K1503-V1536 PolarHBondContact O-N 3.45Å; M1505-V1536 HydrophobicContact CG-CG2 3.89Å; M1505-V1536 HydrophobicContact SD-CG1 4.36Å; M1505-V1536 HydrophobicContact SD-CG2 3.64Å; I1534-V1536 HydrophobicContact CG2-CG1 4.2Å; V1536-Y1546 HydrophobicContact CB-CD1 4.11Å; V1536-Y1546 HydrophobicContact CB-CG 4.06Å; V1536-Y1546 HydrophobicContact CG1-CD2 4.46Å; V1536-Y1546 HydrophobicContact CG1-CG 3.98Å; V1536-Y1546 HydrophobicContact CG2-CD1 4.2Å; V1536-Y1546 HydrophobicContact CG2-CG 4.4Å; V1536-Y1547 CarbonylContact C-O 3.56Å; V1536-Y1547 WeakPolarHBondContact CA-O 3.34Å; V1536-L1563 HydrophobicContact CG1-CD1 3.72Å
1537Y89.6Confident87.8Confident71 Ų7165.5 Ų65.528%0.27835%0.345SS..EExtended strand (participates in β ladder)trans-116.6131.5-176.7-64.5-79.8000109.8T1535 Y1547 E1549T1535-Y1537 HydrophobicContact CG2-CE1 4.19Å; T1535-Y1537 HydrophobicContact CG2-CE2 4.08Å; Y1537-Y1547 PolarHBondContact N-O 3.27Å; Y1537-E1549 HydrophobicContact CE2-CB 3.94Å; Y1537-E1549 PolarHBondContact OH-OE2 2.85Å; Y1537-E1549 VanDerWaalsContact OH-OE2 3.1Å
1538G82.1Confident87.9Confident6 Ų663.1 Ų63.16%0.06233%0.328CS..SBendtrans82.9-165.5-179.500000114.1Q1500Q1500-G1538 VanDerWaalsContact CD-CA 3.49Å; Q1500-G1538 VanDerWaalsContact OE1-CA 3.26Å
1539N78.6Confident87.8Confident134 Ų13464.3 Ų64.372%0.71733%0.334SS*.SBendtrans-87.4171.2169-69.5-14.9000109.5
1540M85.5Confident87.9Confident92 Ų9255.7 Ų55.745%0.45330%0.302SS..PPolyproline II helixtrans-64.5142.8166.1-165.2-178.575.800109.2F1545 Y1546 S1560M1540-F1545 CarbonylContact C-O 3.59Å; M1540-F1545 VanDerWaalsContact CA-O 3.25Å; M1540-F1545 WeakPolarHBondContact CA-O 3.32Å; M1540-F1545 VanDerWaalsContact CG-O 3.26Å; M1540-F1545 WeakPolarHBondContact CG-O 3.37Å; M1540-Y1546 HydrophobicContact CB-CD1 4.33Å; M1540-Y1546 HydrophobicContact CB-CE1 3.89Å; M1540-Y1546 HydrophobicContact CB-CE2 4.26Å; M1540-Y1546 HydrophobicContact CG-CE2 4.3Å; M1540-Y1546 VanDerWaalsContact N-CE1 3.33Å; M1540-S1560 VanDerWaalsContact SD-CB 3.59Å; M1540-S1560 PolarHBondContact SD-OG 3.19Å; M1540-S1560 VanDerWaalsContact SD-OG 3.41Å
1541D86.6Confident87.5Confident56 Ų5660.2 Ų60.230%0.29931%0.312SS..PPolyproline II helixtrans-81.4172.1172.355.547.5000112.5D1543 G1544 F1545D1541-D1543 PolarHBondContact O-N 3.34Å; D1541-D1543 PolarHBondContact OD1-N 2.99Å; D1541-G1544 PolarHBondContact O-N 3.45Å; D1541-G1544 PolarHBondContact OD1-N 3.27Å; D1541-F1545 PolarHBondContact N-O 3.19Å; D1541-F1545 PolarHBondContact OD1-N 3.12Å; D1541-F1545 WeakPolarHBondContact OD2-CB 3.28Å
1542D75.8Confident87.2Confident177 Ų17762.5 Ų62.595%0.94731%0.311SS*.THydrogen-bonded Turntrans-63.8-23.3-176.4-59.9-39.2000113
1543D77.3Confident86.8Confident143 Ų14362.7 Ų62.777%0.76532%0.322SS*.THydrogen-bonded Turntrans-87.6-5.6176.4-72.4-52.1000112.9D1541 F1545D1541-D1543 PolarHBondContact O-N 3.34Å; D1541-D1543 PolarHBondContact OD1-N 2.99Å; D1543-F1545 HydrophobicContact CB-CD2 4.27Å
1544G85.6Confident86.6Confident13 Ų1364.2 Ų64.213%0.13433%0.325CS..SBendtrans90.917.6174.400000115.3D1541 S1560D1541-G1544 PolarHBondContact O-N 3.45Å; D1541-G1544 PolarHBondContact OD1-N 3.27Å; G1544-S1560 WeakPolarHBondContact O-CB 3.4Å; G1544-S1560 PolarHBondContact O-N 3.49Å; G1544-S1560 PolarHBondContact O-OG 3.39Å
1545F91.1Very high86.6Confident28 Ų2871 Ų7112%0.12335%0.35CS..EExtended strand (participates in β ladder)trans-99.9164.2174.6-68.8-108.6000111.3E1525 M1540 D1541 D1543 L1557 V1558 P1559E1525-F1545 HydrophobicContact CG-CE1 4.47Å; M1540-F1545 CarbonylContact C-O 3.59Å; M1540-F1545 VanDerWaalsContact CA-O 3.25Å; M1540-F1545 WeakPolarHBondContact CA-O 3.32Å; M1540-F1545 VanDerWaalsContact CG-O 3.26Å; M1540-F1545 WeakPolarHBondContact CG-O 3.37Å; D1541-F1545 PolarHBondContact N-O 3.19Å; D1541-F1545 PolarHBondContact OD1-N 3.12Å; D1541-F1545 WeakPolarHBondContact OD2-CB 3.28Å; D1543-F1545 HydrophobicContact CB-CD2 4.27Å; F1545-L1557 HydrophobicContact CB-CB 4.37Å; F1545-L1557 HydrophobicContact CB-CD2 4.34Å; F1545-L1557 HydrophobicContact CD1-CB 3.96Å; F1545-L1557 HydrophobicContact CG-CB 4.46Å; F1545-V1558 WeakPolarHBondContact CA-O 3.28Å; F1545-P1559 HydrophobicContact CD1-CB 3.97Å; F1545-P1559 HydrophobicContact CE1-CB 3.79Å; F1545-P1559 HydrophobicContact CE1-CG 4.23Å; F1545-P1559 HydrophobicContact CZ-CB 4.29Å
1546Y93.8Very high86.6Confident41 Ų4169.3 Ų69.316%0.16134%0.341CS..EExtended strand (participates in β ladder)trans-117.1147.1164.2-73-83.9000108.8M1505 V1536 M1540 L1557 V1558 L1563M1505-Y1546 HydrophobicContact CE-CE2 4.43Å; M1505-Y1546 HydrophobicContact SD-CD2 4.43Å; M1505-Y1546 HydrophobicContact SD-CE2 4.1Å; V1536-Y1546 HydrophobicContact CB-CD1 4.11Å; V1536-Y1546 HydrophobicContact CB-CG 4.06Å; V1536-Y1546 HydrophobicContact CG1-CD2 4.46Å; V1536-Y1546 HydrophobicContact CG1-CG 3.98Å; V1536-Y1546 HydrophobicContact CG2-CD1 4.2Å; V1536-Y1546 HydrophobicContact CG2-CG 4.4Å; M1540-Y1546 HydrophobicContact CB-CD1 4.33Å; M1540-Y1546 HydrophobicContact CB-CE1 3.89Å; M1540-Y1546 HydrophobicContact CB-CE2 4.26Å; M1540-Y1546 HydrophobicContact CG-CE2 4.3Å; M1540-Y1546 VanDerWaalsContact N-CE1 3.33Å; Y1546-L1557 CarbonylContact O-C 3.53Å; Y1546-L1557 WeakPolarHBondContact O-CA 3.23Å; Y1546-V1558 PolarHBondContact N-O 3.42Å; Y1546-V1558 PolarHBondContact O-N 3.43Å; Y1546-L1563 HydrophobicContact CD2-CD1 4.15Å
1547Y93.5Very high86.5Confident114 Ų11471.4 Ų71.445%0.44735%0.352SS..EExtended strand (participates in β ladder)trans-77.6123.9162.8-165.1-101.8000109.3V1536 Y1537 R1555 L1557V1536-Y1547 CarbonylContact C-O 3.56Å; V1536-Y1547 WeakPolarHBondContact CA-O 3.34Å; Y1537-Y1547 PolarHBondContact N-O 3.27Å; Y1547-R1555 HydrophobicContact CE1-CB 4.48Å; Y1547-L1557 HydrophobicContact CD2-CD2 4.31Å
1548G92.7Very high86.7Confident0 Ų068 Ų680%034%0.338CS..EExtended strand (participates in β ladder)trans-146.1168.9-171.200000115.6T1535 R1555 G1556T1535-G1548 CarbonylContact O-C 3.54Å; T1535-G1548 VanDerWaalsContact O-CA 3.24Å; T1535-G1548 WeakPolarHBondContact O-CA 3.48Å; G1548-R1555 VanDerWaalsContact O-CA 3.27Å; G1548-R1555 WeakPolarHBondContact O-CA 3.46Å; G1548-G1556 PolarHBondContact N-O 2.96Å; G1548-G1556 PolarHBondContact O-N 2.89Å
1549E92.9Very high87.1Confident29 Ų2968.2 Ų68.214%0.13634%0.339CS..EExtended strand (participates in β ladder)trans-136.5128.4-173.1-178.1163-140.600111.7I1534 T1535 Y1537 R1554 R1555I1534-E1549 WeakPolarHBondContact CA-O 3.37Å; T1535-E1549 PolarHBondContact N-O 2.91Å; T1535-E1549 PolarHBondContact O-N 3.36Å; Y1537-E1549 HydrophobicContact CE2-CB 3.94Å; Y1537-E1549 PolarHBondContact OH-OE2 2.85Å; Y1537-E1549 VanDerWaalsContact OH-OE2 3.1Å; E1549-R1554 CarbonylContact C-O 3.52Å; E1549-R1554 VanDerWaalsContact CA-O 3.29Å; E1549-R1554 WeakPolarHBondContact CA-O 3.48Å; E1549-R1555 HydrophobicContact CB-CG 4Å; E1549-R1555 HydrophobicContact CG-CG 3.88Å; E1549-R1555 IonicContact OE1-CZ 3.42Å; E1549-R1555 VanDerWaalsContact OE1-CZ 3.26Å; E1549-R1555 IonicContact OE1-NE 2.75Å; E1549-R1555 PolarHBondContact OE1-NE 3.26Å; E1549-R1555 IonicContact OE1-NH2 2.78Å; E1549-R1555 PolarHBondContact OE1-NH2 3.32Å; E1549-R1555 IonicContact OE2-CZ 2.68Å; E1549-R1555 IonicContact OE2-NE 3.17Å; E1549-R1555 PolarHBondContact OE2-NE 3.45Å; E1549-R1555 IonicContact OE2-NH2 3.13Å; E1549-R1555 PolarHBondContact OE2-NH2 3.08Å
1550T90.6Very high87.6Confident5 Ų562.8 Ų62.83%0.03131%0.311CS..  trans-78.2170.5171.170.80000111.6L1526 F1528 E1532 D1552 G1553 R1554L1526-T1550 HydrophobicContact CD1-CG2 4.09Å; L1526-T1550 HydrophobicContact CD2-CG2 3.73Å; L1526-T1550 HydrophobicContact CG-CG2 3.91Å; F1528-T1550 HydrophobicContact CB-CG2 4.36Å; E1532-T1550 VanDerWaalsContact OE1-CB 3.24Å; E1532-T1550 WeakPolarHBondContact OE1-CB 3.48Å; E1532-T1550 VanDerWaalsContact OE1-CG2 3.28Å; E1532-T1550 WeakPolarHBondContact OE1-CG2 3.42Å; T1550-D1552 PolarHBondContact O-N 2.96Å; T1550-D1552 VanDerWaalsContact O-N 3.11Å; T1550-D1552 PolarHBondContact OG1-N 3.17Å; T1550-G1553 PolarHBondContact O-N 2.94Å; T1550-R1554 PolarHBondContact N-O 3.42Å
1551K80Confident87.8Confident148 Ų14864.6 Ų64.664%0.64332%0.323SS*.THydrogen-bonded Turntrans-59.1-22.4175.3-64-168.1-179.6-1740114Q1533 G1553Q1533-K1551 VanDerWaalsContact OE1-CE 3.25Å; K1551-G1553 PolarHBondContact O-N 3.45Å
1552D78.6Confident88Confident105 Ų10564.2 Ų64.256%0.56132%0.318SS*.THydrogen-bonded Turntrans-79.8-2.9179.2-42-21.7000112.7T1550 R1554T1550-D1552 PolarHBondContact O-N 2.96Å; T1550-D1552 VanDerWaalsContact O-N 3.11Å; T1550-D1552 PolarHBondContact OG1-N 3.17Å; D1552-R1554 VanDerWaalsContact C-N 3.27Å; D1552-R1554 HydrophobicContact CB-CG 4.23Å; D1552-R1554 PolarHBondContact O-N 3.42Å; D1552-R1554 IonicContact OD2-CZ 3.34Å; D1552-R1554 VanDerWaalsContact OD2-CZ 3.22Å; D1552-R1554 IonicContact OD2-NE 2.74Å; D1552-R1554 PolarHBondContact OD2-NE 3.23Å; D1552-R1554 IonicContact OD2-NH2 3.26Å; D1552-R1554 PolarHBondContact OD2-NH2 3.27Å
1553G81.4Confident88.7Confident41 Ų4156.3 Ų56.342%0.42328%0.276SS..  trans75.711-172.900000114.4T1550 K1551T1550-G1553 PolarHBondContact O-N 2.94Å; K1551-G1553 PolarHBondContact O-N 3.45Å
1554R85.7Confident89.1Confident105 Ų10555.2 Ų55.240%0.39627%0.266SS..  trans-74.4130.3171.6-65.2-178.6-70.4112.50.4108.5L1526 S1527 E1549 T1550 D1552L1526-R1554 HydrophobicContact CD1-CB 3.77Å; L1526-R1554 WeakPolarHBondContact CD1-O 3.45Å; S1527-R1554 PolarHBondContact O-NH1 3.48Å; E1549-R1554 CarbonylContact C-O 3.52Å; E1549-R1554 VanDerWaalsContact CA-O 3.29Å; E1549-R1554 WeakPolarHBondContact CA-O 3.48Å; T1550-R1554 PolarHBondContact N-O 3.42Å; D1552-R1554 VanDerWaalsContact C-N 3.27Å; D1552-R1554 HydrophobicContact CB-CG 4.23Å; D1552-R1554 PolarHBondContact O-N 3.42Å; D1552-R1554 IonicContact OD2-CZ 3.34Å; D1552-R1554 VanDerWaalsContact OD2-CZ 3.22Å; D1552-R1554 IonicContact OD2-NE 2.74Å; D1552-R1554 PolarHBondContact OD2-NE 3.23Å; D1552-R1554 IonicContact OD2-NH2 3.26Å; D1552-R1554 PolarHBondContact OD2-NH2 3.27Å
1555R91.1Very high88.7Confident143 Ų14357.3 Ų57.354%0.5428%0.279SS..EExtended strand (participates in β ladder)trans-121.7144.3-175.1-61.3-179.6178.6-148.6-16111.7Y1547 G1548 E1549Y1547-R1555 HydrophobicContact CE1-CB 4.48Å; G1548-R1555 VanDerWaalsContact O-CA 3.27Å; G1548-R1555 WeakPolarHBondContact O-CA 3.46Å; E1549-R1555 HydrophobicContact CB-CG 4Å; E1549-R1555 HydrophobicContact CG-CG 3.88Å; E1549-R1555 IonicContact OE1-CZ 3.42Å; E1549-R1555 VanDerWaalsContact OE1-CZ 3.26Å; E1549-R1555 IonicContact OE1-NE 2.75Å; E1549-R1555 PolarHBondContact OE1-NE 3.26Å; E1549-R1555 IonicContact OE1-NH2 2.78Å; E1549-R1555 PolarHBondContact OE1-NH2 3.32Å; E1549-R1555 IonicContact OE2-CZ 2.68Å; E1549-R1555 IonicContact OE2-NE 3.17Å; E1549-R1555 PolarHBondContact OE2-NE 3.45Å; E1549-R1555 IonicContact OE2-NH2 3.13Å; E1549-R1555 PolarHBondContact OE2-NH2 3.08Å
1556G92Very high86.9Confident3 Ų358.8 Ų58.83%0.03129%0.292CS..EExtended strand (participates in β ladder)trans178-176.1177.500000112.5A1524 G1548 V1558A1524-G1556 CarbonylContact O-C 3.57Å; A1524-G1556 WeakPolarHBondContact O-CA 3.43Å; G1548-G1556 PolarHBondContact N-O 2.96Å; G1548-G1556 PolarHBondContact O-N 2.89Å; G1556-V1558 WeakPolarHBondContact O-CG2 3.34Å
1557L92.7Very high84.4Confident46 Ų4660.3 Ų60.324%0.24131%0.305CS..EExtended strand (participates in β ladder)trans-72.8140.8170.4-66.7173000110.6A1524 E1525 L1526 F1545 Y1546 Y1547A1524-L1557 PolarHBondContact O-N 3.19Å; E1525-L1557 WeakPolarHBondContact CA-O 3.45Å; E1525-L1557 HydrophobicContact CG-CB 4.36Å; L1526-L1557 PolarHBondContact N-O 3.31Å; F1545-L1557 HydrophobicContact CB-CB 4.37Å; F1545-L1557 HydrophobicContact CB-CD2 4.34Å; F1545-L1557 HydrophobicContact CD1-CB 3.96Å; F1545-L1557 HydrophobicContact CG-CB 4.46Å; Y1546-L1557 CarbonylContact O-C 3.53Å; Y1546-L1557 WeakPolarHBondContact O-CA 3.23Å; Y1547-L1557 HydrophobicContact CD2-CD2 4.31Å
1558V93.1Very high81.3Confident0 Ų062.2 Ų62.20%032%0.323CS..EExtended strand (participates in β ladder)trans-135.8113.8-171.3-157.60000108.6L1526 F1528 I1534 F1545 Y1546 G1556 S1560 L1563L1526-V1558 HydrophobicContact CB-CG2 4.02Å; L1526-V1558 HydrophobicContact CD2-CG2 3.77Å; F1528-V1558 HydrophobicContact CD1-CG1 3.97Å; F1528-V1558 HydrophobicContact CE1-CG1 3.36Å; F1528-V1558 HydrophobicContact CZ-CG1 3.9Å; I1534-V1558 HydrophobicContact CD1-CG1 3.9Å; I1534-V1558 HydrophobicContact CG2-CG1 4.44Å; I1534-V1558 HydrophobicContact CG2-CG2 4.3Å; F1545-V1558 WeakPolarHBondContact CA-O 3.28Å; Y1546-V1558 PolarHBondContact N-O 3.42Å; Y1546-V1558 PolarHBondContact O-N 3.43Å; G1556-V1558 WeakPolarHBondContact O-CG2 3.34Å; V1558-S1560 PolarHBondContact O-N 2.89Å; V1558-L1563 HydrophobicContact CB-CD1 4.23Å; V1558-L1563 HydrophobicContact CG1-CD1 3.81Å; V1558-L1563 HydrophobicContact CG1-CD2 3.9Å; V1558-L1563 HydrophobicContact CG1-CG 4.15Å
1559P90.3Very high78.4Confident10 Ų1067.4 Ų67.47%0.06535%0.351CS..EExtended strand (participates in β ladder)trans-66.9123.7-17424.7-33.7000111.3Y1511 F1545 N1561 F1562Y1511-P1559 HydrophobicContact CD1-CG 4.12Å; Y1511-P1559 HydrophobicContact CD2-CG 4.27Å; Y1511-P1559 HydrophobicContact CE1-CG 3.75Å; Y1511-P1559 HydrophobicContact CE2-CG 3.94Å; Y1511-P1559 HydrophobicContact CG-CG 4.36Å; F1545-P1559 HydrophobicContact CD1-CB 3.97Å; F1545-P1559 HydrophobicContact CE1-CB 3.79Å; F1545-P1559 HydrophobicContact CE1-CG 4.23Å; F1545-P1559 HydrophobicContact CZ-CB 4.29Å; P1559-N1561 PolarHBondContact O-N 3.32Å; P1559-N1561 VanDerWaalsContact O-N 3.11Å; P1559-F1562 HydrophobicContact CB-CD2 4.04Å; P1559-F1562 HydrophobicContact CG-CB 4.27Å; P1559-F1562 HydrophobicContact CG-CD2 3.65Å; P1559-F1562 HydrophobicContact CG-CE2 4.28Å; P1559-F1562 HydrophobicContact CG-CG 4.11Å; P1559-F1562 PolarHBondContact O-N 3.3Å
1560S88.9Confident75.3Confident20 Ų2072.2 Ų72.214%0.1438%0.383CS..G310 helixtrans-52.5-38.2-175.759.20000113.7M1540 G1544 V1558 F1562 L1563M1540-S1560 VanDerWaalsContact SD-CB 3.59Å; M1540-S1560 PolarHBondContact SD-OG 3.19Å; M1540-S1560 VanDerWaalsContact SD-OG 3.41Å; G1544-S1560 WeakPolarHBondContact O-CB 3.4Å; G1544-S1560 PolarHBondContact O-N 3.49Å; G1544-S1560 PolarHBondContact O-OG 3.39Å; V1558-S1560 PolarHBondContact O-N 2.89Å; S1560-F1562 PolarHBondContact O-N 2.97Å; S1560-F1562 VanDerWaalsContact O-N 3.08Å; S1560-L1563 PolarHBondContact O-N 3.48Å
1561N89.5Confident72.4Confident130 Ų13077 Ų7770%0.69541%0.408SS*.G310 helixtrans-60.5-15.3179-67.5-69.6000114.7P1559P1559-N1561 PolarHBondContact O-N 3.32Å; P1559-N1561 VanDerWaalsContact O-N 3.11Å
1562F90.9Very high70.2Confident47 Ų4779.3 Ų79.321%0.20641%0.414CS..G310 helixtrans-98.1-1.8176.5-76-109.6000112.9A1507 I1508 Y1509 Y1511 L1516 F1528 P1559 S1560A1507-F1562 CarbonylContact C-O 3.5Å; A1507-F1562 VanDerWaalsContact CA-O 3.32Å; A1507-F1562 WeakPolarHBondContact CA-O 3.49Å; I1508-F1562 VanDerWaalsContact CG1-O 3.31Å; I1508-F1562 WeakPolarHBondContact CG1-O 3.34Å; I1508-F1562 PolarHBondContact N-O 3.2Å; Y1509-F1562 HydrophobicContact CD2-CD1 4.44Å; Y1511-F1562 AromaticContact CD2-CD1 3.79Å; Y1511-F1562 HydrophobicContact CD2-CD1 3.79Å; Y1511-F1562 HydrophobicContact CD2-CD2 4.34Å; Y1511-F1562 AromaticContact CD2-CE1 3.5Å; Y1511-F1562 HydrophobicContact CD2-CE1 3.5Å; Y1511-F1562 HydrophobicContact CD2-CE2 4.08Å; Y1511-F1562 HydrophobicContact CD2-CG 4.23Å; Y1511-F1562 AromaticContact CD2-CZ 3.66Å; Y1511-F1562 HydrophobicContact CD2-CZ 3.66Å; Y1511-F1562 HydrophobicContact CE2-CE1 4.23Å; Y1511-F1562 HydrophobicContact CE2-CE2 4.05Å; Y1511-F1562 AromaticContact CE2-CZ 3.9Å; Y1511-F1562 HydrophobicContact CE2-CZ 3.9Å; Y1511-F1562 HydrophobicContact CG-CD1 4.26Å; Y1511-F1562 HydrophobicContact CG-CE1 4.37Å; L1516-F1562 HydrophobicContact CD1-CE1 4.32Å; F1528-F1562 HydrophobicContact CE2-CB 3.96Å; F1528-F1562 HydrophobicContact CE2-CD1 4.5Å; F1528-F1562 HydrophobicContact CZ-CB 3.71Å; F1528-F1562 HydrophobicContact CZ-CD1 4.48Å; F1528-F1562 HydrophobicContact CZ-CG 4.34Å; P1559-F1562 HydrophobicContact CB-CD2 4.04Å; P1559-F1562 HydrophobicContact CG-CB 4.27Å; P1559-F1562 HydrophobicContact CG-CD2 3.65Å; P1559-F1562 HydrophobicContact CG-CE2 4.28Å; P1559-F1562 HydrophobicContact CG-CG 4.11Å; P1559-F1562 PolarHBondContact O-N 3.3Å; S1560-F1562 PolarHBondContact O-N 2.97Å; S1560-F1562 VanDerWaalsContact O-N 3.08Å
1563L89.9Confident67.9Low12 Ų1281.3 Ų81.36%0.06342%0.424CS..EExtended strand (participates in β ladder)trans-116.8154-173.6-55.7-177.2000112.4M1505 I1506 A1507 F1528 I1534 V1536 Y1546 V1558 S1560M1505-L1563 HydrophobicContact CB-CB 4.03Å; M1505-L1563 HydrophobicContact CB-CD1 4.41Å; M1505-L1563 HydrophobicContact CE-CB 3.57Å; M1505-L1563 HydrophobicContact SD-CB 3.88Å; M1505-L1563 HydrophobicContact SD-CD1 3.87Å; I1506-L1563 CarbonylContact O-C 3.5Å; I1506-L1563 WeakPolarHBondContact O-CA 3.45Å; A1507-L1563 HydrophobicContact CB-CD2 4.37Å; F1528-L1563 HydrophobicContact CE2-CD2 4.47Å; F1528-L1563 HydrophobicContact CZ-CD2 4.41Å; I1534-L1563 HydrophobicContact CD1-CD2 3.99Å; V1536-L1563 HydrophobicContact CG1-CD1 3.72Å; Y1546-L1563 HydrophobicContact CD2-CD1 4.15Å; V1558-L1563 HydrophobicContact CB-CD1 4.23Å; V1558-L1563 HydrophobicContact CG1-CD1 3.81Å; V1558-L1563 HydrophobicContact CG1-CD2 3.9Å; V1558-L1563 HydrophobicContact CG1-CG 4.15Å; S1560-L1563 PolarHBondContact O-N 3.48Å
1564H86.7Confident65.5Low120 Ų12084.8 Ų84.856%0.55643%0.433SS*.EExtended strand (participates in β ladder)trans-134.8133.7172.2-161.475.8000112M1505 I1506 I1508M1505-H1564 CarbonylContact C-O 3.59Å; M1505-H1564 VanDerWaalsContact CA-O 3.22Å; M1505-H1564 WeakPolarHBondContact CA-O 3.35Å; M1505-H1564 WeakPolarHBondContact CB-O 3.37Å; I1506-H1564 PolarHBondContact N-O 2.86Å; I1506-H1564 PolarHBondContact O-N 2.87Å; I1508-H1564 HydrophobicContact CG2-CB 3.76Å
1565S76.9Confident62.9Low57 Ų5788.7 Ų88.740%0.39945%0.453SS..EExtended strand (participates in β ladder)trans-64.5132.1-178.4-63.80000112.2T1567S1565-T1567 PolarHBondContact O-N 3.32Å
1566C53.8Low60Low59 Ų5989.8 Ų89.840%0.39946%0.464SS..  trans-79.865174.3-66.60000112.3I1504I1504-C1566 WeakPolarHBondContact O-CB 3.43Å; I1504-C1566 PolarHBondContact O-N 3.05Å; I1504-C1566 PolarHBondContact O-SG 3.37Å
1567T40.2Very low56.9Low72 Ų7297.1 Ų97.144%0.44250%0.495SS..  trans-76.2155.8159.541.20000110.3S1565 D1569S1565-T1567 PolarHBondContact O-N 3.32Å; T1567-D1569 VanDerWaalsContact C-N 3.29Å; T1567-D1569 PolarHBondContact O-N 2.82Å
1568N29.4Very low53.8Low154 Ų154102.5 Ų102.582%0.82452%0.524SS*.SBendtrans-73.863.1-163.4-76.4-33.3000115.6
1569D31.1Very low50.6Low110 Ų110107.1 Ų107.159%0.58856%0.556SS**  trans-102.278.5170.6-106.6-50.6000111.7T1567 N1571T1567-D1569 VanDerWaalsContact C-N 3.29Å; T1567-D1569 PolarHBondContact O-N 2.82Å; D1569-N1571 PolarHBondContact O-N 3.45Å
1570T28.3Very low47.4Very low129 Ų129111.1 Ų111.179%0.79159%0.585SS**THydrogen-bonded Turntrans-72.154.4173.754.60000112.4
1571N30.1Very low44.4Very low106 Ų106116 Ų11657%0.56761%0.614SS**THydrogen-bonded Turntrans-138.3-22.2176.7-92.3-54.5000114.2D1569 L1573 N1574D1569-N1571 PolarHBondContact O-N 3.45Å; N1571-L1573 PolarHBondContact O-N 2.9Å; N1571-N1574 PolarHBondContact O-N 2.65Å
1572Y34.6Very low41.5Very low196 Ų196118 Ų11877%0.76962%0.623SS**G310 helixtrans-67.1-33.6178.9-91.7-93.3000113.3N1574Y1572-N1574 VanDerWaalsContact C-N 3.28Å; Y1572-N1574 PolarHBondContact O-N 2.95Å
1573L29.8Very low38.4Very low148 Ų148120.6 Ų120.678%0.77565%0.646SS**G310 helixtrans-74.9-9.6-178.4-133.673.7000115N1571N1571-L1573 PolarHBondContact O-N 2.9Å
1574N30Very low35.4Very low114 Ų114126.4 Ų126.461%0.6168%0.683SS**G310 helixtrans-103.2-6.4-177.6-84.4-22.6000114.6N1571 Y1572N1571-N1574 PolarHBondContact O-N 2.65Å; Y1572-N1574 VanDerWaalsContact C-N 3.28Å; Y1572-N1574 PolarHBondContact O-N 2.95Å
1575K31.4Very low32.5Very low186 Ų186129 Ų12981%0.80970%0.695SS**SBendtrans-96.70.8-179.9-88.8-179.4175.3174.40115.8
1576Q29.6Very low30.2Very low166 Ų166133.3 Ų133.378%0.77671%0.713SS**SBendtrans-1146.2171.5-71.8-171.5-1000114.5
1577K27.8Very low28.8Very low158 Ų158135.4 Ų135.469%0.68773%0.728SS**SBendtrans-103.6-1178.2-78.6-171.4172.3-177.80115.9
1578N26.9Very low28.2Very low158 Ų158136.6 Ų136.685%0.84574%0.739SS**SBendtrans-122.935.9-178.7-79.7-19.6000113.3
1579S25.7Very low28.2Very low97 Ų97134.8 Ų134.868%0.67873%0.734SS**SBendtrans-151.716.8179.446.80000115.6
1580S25.2Very low28.1Very low95 Ų95136.3 Ų136.366%0.66474%0.742SS**  trans-157.464.2177.546.40000113.4
1581T25.4Very low28.1Very low123 Ų123138.2 Ų138.276%0.75575%0.746SS**  trans-129.167.5169.1-45.70000111.4
1582I28.6Very low28Very low172 Ų172137 Ų13788%0.88275%0.746SS**  trans-110.3111.2147.9-67.7179.8000105.1
1583S25Very low27.8Very low100 Ų100133.2 Ų133.270%0.69974%0.738SS**  trans-93.9131.4-168.745.40000112.3
1584T26.8Very low27.5Very low135 Ų135133.1 Ų133.183%0.82874%0.738SS**  trans-14084.415954.40000110.5
1585Q27Very low27.4Very low174 Ų174136.4 Ų136.481%0.81375%0.749SS**  trans-140.4134.8151.3-97.7-162.5-1.500110.9
1586L27.2Very low27.3Very low147 Ų147137.4 Ų137.477%0.7775%0.748SS**  trans65.9105.3149.9-57.5173.3000119.6
1587S25.5Very low27.1Very low104 Ų104134.4 Ų134.473%0.72774%0.737SS**  trans-50.7152.9134.2490000112.8
1588S27.6Very low27.2Very low96 Ų96135.2 Ų135.267%0.67174%0.744SS**  cis-177.4149.9-1046.80000110.5
1589T29.7Very low27.1Very low117 Ų117132.1 Ų132.172%0.71873%0.734SS**  16812211237.60000115.7
1590N28Very low27.2Very low141 Ų141139.1 Ų139.175%0.75475%0.748SS**  trans54.191.2130.5-55.3-21.2000123.1
1591I28.1Very low27.4Very low169 Ų169138.8 Ų138.887%0.86775%0.745SS**  trans-142.4128.1130-64.2-172.3000106.6
1592S28.2Very low27.6Very low82 Ų82141.3 Ų141.357%0.57375%0.751SS**  cis-159.1152.8-11-117.80000111.9
1593I29.9Very low27.6Very low115 Ų115140.1 Ų140.159%0.5975%0.746SS**  trans58.4114.6144.8-61.4167000118.5
1594N24.9Very low28.1Very low146 Ų146140.3 Ų140.378%0.78175%0.745SS**  trans-65.8151.9162-53-62.4000111.8
1595H27.9Very low28.1Very low183 Ų183141.3 Ų141.385%0.84775%0.745SS**  trans-129.297.2138-97.7-77000110.5
1596R28.1Very low28.3Very low208 Ų208137.8 Ų137.879%0.78574%0.739SS**  trans-101.1154.4146.4-80.3-170.1141.8144.72.2106.6
1597D26.3Very low28.5Very low103 Ų103135.7 Ų135.755%0.55174%0.737SS**  cis-161.8169.7-13.7-105.1-27.6000106.1
1598Q28.8Very low28.4Very low175 Ų175136.3 Ų136.382%0.81874%0.742SS**  trans68.4151.9161.8-67151.864.200117.9
1599S25.8Very low28.5Very low93 Ų93138.4 Ų138.465%0.6575%0.75SS**  cis-167158.8-26.5520000109.2
1600Y28.3Very low28.4Very low244 Ų244141.7 Ų141.796%0.95775%0.749SS**  trans-138.8149.6147.7-103.1-79.5000109.5
1601S27.9Very low28.3Very low87 Ų87142.4 Ų142.461%0.60875%0.75SS**  trans-99.3148-165.6-169.30000112.2
1602M29.6Very low28.3Very low177 Ų177143.9 Ų143.987%0.87275%0.753SS**  -177.6123.2108-85.2-44.9173.600111.4
1603D29Very low28.2Very low146 Ų146144.6 Ų144.678%0.78176%0.758SS**  trans-67.5173.7158.9-89.5-52000111.2
1604P34.9Very low28.1Very low104 Ų104150.3 Ų150.368%0.67577%0.772SS**  cis-133.7163.38.939.6-24000116.3
1605N28.3Very low28Very low157 Ų157152.1 Ų152.184%0.8478%0.778SS**  -170.8150.7128.2-110.5-49.2000116.3
1606S31.3Very low28Very low99 Ų99151 Ų15169%0.69278%0.779SS**  trans59.297.6154.2-126.80000121.7
1607S30.4Very low28Very low104 Ų104146.5 Ų146.573%0.72778%0.779SS**  55.8126.9125.969.30000122
1608S23.9Very low28.1Very low117 Ų117147.5 Ų147.582%0.81879%0.794SS**  trans-67.7142.5144.3-67.50000111.4
1609V30.3Very low28.1Very low140 Ų140146.1 Ų146.185%0.84879%0.787SS**  trans-163.3117.1136.3133.10000113.8
1610R25.9Very low28.3Very low185 Ų185150.6 Ų150.670%0.69880%0.796SS**  trans11.2122.8137.7-171.7179-178.3-176.6-1.3120.9
1611M25.9Very low28.3Very low156 Ų156144.3 Ų144.377%0.76878%0.775SS**  trans58.4132144.3-65.2170.4141.200121.2
1612Q28.6Very low28.5Very low201 Ų201146.1 Ų146.194%0.93978%0.777SS**  -154.3179105.6-110-173.832.300111.6
1613S27.1Very low28.4Very low96 Ų96141.5 Ų141.567%0.67176%0.759SS**  trans-135.4144.6-16863.20000113.5
1614R26.1Very low28.6Very low236 Ų236145.2 Ų145.289%0.89176%0.762SS**  trans68125.1168.9-58.5174.4170.4177.7-4.8116.7
1615M24.6Very low28.4Very low184 Ų184146.7 Ų146.791%0.90676%0.764SS**  -156.3175.7107-92.4-104.3179.100109.5
1616N26.2Very low28.5Very low160 Ų160144.7 Ų144.786%0.85675%0.754SS**  trans-82.5167.8-161.8-67.2-21.7000115.1
1617S29.1Very low28.9Very low112 Ų112149.4 Ų149.478%0.78376%0.762SS**  trans-82176.3165.952.90000113
1618S29Very low29.3Very low124 Ų124149.8 Ų149.887%0.86776%0.764SS**  trans93.3144.9174.276.70000117.4
1619Q28.5Very low29.6Very low147 Ų147153.2 Ų153.269%0.68777%0.767SS**  trans-106.3152.1-164.3-67.1-179.5-18.100113.1S1632Q1619-S1632 PolarHBondContact OE1-OG 3.22Å; Q1619-S1632 VanDerWaalsContact OE1-OG 3.13Å
1620F29.8Very low30.3Very low187 Ų187151.3 Ų151.382%0.8276%0.758SS**  trans-85.6141.3150.5-92.2-90.9000110
1621H27.6Very low30.3Very low112 Ų112148.6 Ų148.652%0.51976%0.757SS.*  trans-85.6145.5171.9-79.7-35.4000112.5S1632 D1633H1621-S1632 CarbonylContact C-O 3.45Å; H1621-S1632 WeakPolarHBondContact CA-O 3.15Å; H1621-S1632 WeakPolarHBondContact CB-O 3.36Å; H1621-S1632 PolarHBondContact ND1-O 3.46Å; H1621-S1632 PolarHBondContact ND1-OG 3.02Å; H1621-D1633 HydrophobicContact CB-CB 3.95Å; H1621-D1633 IonicContact CD2-OD1 2.75Å; H1621-D1633 IonicContact CG-OD1 3.44Å
1622N31.9Very low31Very low124 Ų124142.8 Ų142.866%0.66373%0.732SS**  trans-164.2151.8150.3-108.5-72.4000112.3S1632N1622-S1632 PolarHBondContact N-O 2.78Å; N1622-S1632 CarbonylContact O-C 3.52Å; N1622-S1632 VanDerWaalsContact O-C 3.32Å; N1622-S1632 PolarHBondContact O-N 2.92Å
1623V28.3Very low31.1Very low80 Ų80135.2 Ų135.249%0.48570%0.698SS.*  trans-77.7134.5-162.4-175.80000114.1D1633 R1634V1623-D1633 HydrophobicContact CB-CB 4.27Å; V1623-D1633 HydrophobicContact CG2-CB 3.6Å; V1623-R1634 HydrophobicContact CG2-CB 4.45Å
1624R33.2Very low31.2Very low224 Ų224139.6 Ų139.685%0.84570%0.7SS**  trans-177.3126.3130.9-105.8165.2179.7149.80.7118.9
1625N31.1Very low31.3Very low135 Ų135134 Ų13472%0.72269%0.692SS**  trans-59.1156.3138.2-100-3.4000109.8
1626N29Very low31.6Very low116 Ų116134.9 Ų134.962%0.6269%0.691SS**SBendcis-154.3147.713.7-99.7-42000107.6
1627K40.2Very low31.8Very low197 Ų197134.1 Ų134.186%0.85769%0.686SS**SBendtrans65.6-177.4-166.5-41.1151.4-177.5175.90110.4
1628S38.5Very low31.8Very low112 Ų112136.5 Ų136.578%0.78369%0.686SS**SBendtrans49.767.5160.555.90000116.9
1629E30.9Very low31.9Very low190 Ų190136.8 Ų136.889%0.88867%0.674SS**  trans53.4-128.1163.5-61.5-169.6142.700117.3
1630P45.1Very low31.9Very low99 Ų99136.6 Ų136.664%0.64368%0.677SS**  -120.6-179.2-128.633.5-13.3000116.4
1631N25.6Very low32Very low129 Ų129132.8 Ų132.869%0.6967%0.666SS**  trans87.4161.9179.6-58.6-45.7000116.8
1632S39.9Very low32.3Very low33 Ų33133.3 Ų133.323%0.23168%0.677CS.*  trans-135.2127.1-152.154.30000112.7Q1619 H1621 N1622Q1619-S1632 PolarHBondContact OE1-OG 3.22Å; Q1619-S1632 VanDerWaalsContact OE1-OG 3.13Å; H1621-S1632 CarbonylContact C-O 3.45Å; H1621-S1632 WeakPolarHBondContact CA-O 3.15Å; H1621-S1632 WeakPolarHBondContact CB-O 3.36Å; H1621-S1632 PolarHBondContact ND1-O 3.46Å; H1621-S1632 PolarHBondContact ND1-OG 3.02Å; N1622-S1632 PolarHBondContact N-O 2.78Å; N1622-S1632 CarbonylContact O-C 3.52Å; N1622-S1632 VanDerWaalsContact O-C 3.32Å; N1622-S1632 PolarHBondContact O-N 2.92Å
1633D31.6Very low32.2Very low43 Ų43137.5 Ų137.523%0.2368%0.684CS.*  trans-168.3156.4158.9-163.118.2000114.4H1621 V1623H1621-D1633 HydrophobicContact CB-CB 3.95Å; H1621-D1633 IonicContact CD2-OD1 2.75Å; H1621-D1633 IonicContact CG-OD1 3.44Å; V1623-D1633 HydrophobicContact CB-CB 4.27Å; V1623-D1633 HydrophobicContact CG2-CB 3.6Å
1634R30Very low32.6Very low188 Ų188138.1 Ų138.171%0.70969%0.689SS**  trans31.5109.7155.5-85.5163.2176.8157.1-4.2121.9V1623V1623-R1634 HydrophobicContact CG2-CB 4.45Å
1635T28.2Very low32.6Very low119 Ų119134.7 Ų134.773%0.7369%0.688SS**  28119.5116.762.80000119.2
1636K29.8Very low32.6Very low201 Ų201133.7 Ų133.787%0.87469%0.691SS**  -168.6134101-105.2170.8-177177.20113.1
1637L30.9Very low32.7Very low144 Ų144133.8 Ų133.875%0.75470%0.698SS**  trans-63.8139.6150.2-74.4138.8000109
1638M28.9Very low32Very low162 Ų162129.6 Ų129.680%0.79869%0.692SS**  -160.8108.5127-82-125.111000106.7
1639H30.9Very low31.6Very low130 Ų130130.7 Ų130.760%0.60270%0.695SS**  76138.674.4-79.551.9000113.3
1640N28.9Very low31.5Very low143 Ų143130 Ų13077%0.76569%0.691SS**  trans-177.3131.3144.8-92.5-23.4000106.7
1641N30.9Very low30.7Very low108 Ų108131.2 Ų131.258%0.57870%0.697SS**SBendcis-141.6167.3-5.7-98.4-59.3000107.7
1642T33.8Very low30.8Very low123 Ų123134.5 Ų134.576%0.75570%0.7SS**  cis-148.412029.1-41.70000107.6
1643R30.9Very low30.1Very low212 Ų212139.7 Ų139.780%0.872%0.724SS**  65149.284.4-106.4-171167.5-153.3-1114
1644P36.1Very low30Very low92 Ų92146 Ų14660%0.59775%0.746SS**  cis-147-165-45.937.9-17.1000114.5
1645N33.2Very low29.9Very low153 Ų153142.5 Ų142.582%0.81875%0.746SS**  trans86.2133.9152.8-65.7-5.6000121
1646S31Very low30Very low113 Ų113143.1 Ų143.179%0.7975%0.75SS**  trans-71.9-179.1170.2-20.40000111.9
1647P32.1Very low29.9Very low119 Ų119141 Ų14177%0.77375%0.748SS**  cis-142.1-174.127.843.6-23.2000117.8
1648C24.7Very low29.9Very low108 Ų108141.8 Ų141.873%0.7375%0.753SS**  trans-65.8141.1166.5174.60000112.4
1649T30.2Very low30Very low136 Ų136138.5 Ų138.583%0.83475%0.746SS**  trans-138.9115149.544.70000110.2
1650Q29Very low29.8Very low175 Ų175139 Ų13982%0.81875%0.753SS**  trans-115.1131.7160.7-90.3-169.4-14.700109.5
1651T29Very low29.7Very low125 Ų125140.3 Ų140.377%0.76776%0.755SS**  trans-168.2139.8158.1-11.70000106.4
1652R28.1Very low29.7Very low197 Ų197140.9 Ų140.974%0.74376%0.761SS**  cis-113.3155.94.4-79.1175.3175.3-173.7-5.1109.9Y1654R1652-Y1654 PolarHBondContact NH1-OH 3.41Å
1653L25Very low29.4Very low142 Ų142142 Ų14274%0.74376%0.761SS**  cis64.897.118.5-75176.2000118
1654Y28.4Very low29.3Very low175 Ų175137.4 Ų137.469%0.68675%0.753SS**  trans-128.1118.7134.7-87.9-78.6000109.3R1652R1652-Y1654 PolarHBondContact NH1-OH 3.41Å
1655T28.5Very low28.8Very low115 Ų115139 Ų13971%0.70676%0.761SS**  trans34.7132.1142.757.20000120
1656T30.7Very low28.6Very low133 Ų133138.1 Ų138.182%0.81676%0.756SS**  cis-141.5159.727.945.20000114.2
1657N26Very low28.4Very low155 Ų155139.5 Ų139.583%0.82975%0.753SS**  trans-106.5142.6161.8-85.3-10.5000109.9
1658N31.6Very low28.2Very low162 Ų162140.2 Ų140.287%0.86675%0.75SS**  trans166.6147.7151.3-90-9.3000107.9
1659S30.8Very low28.3Very low92 Ų92140.8 Ų140.864%0.64376%0.756SS**  cis-171.8140.9-14.547.60000109.6
1660N28Very low28.2Very low142 Ų142140.8 Ų140.876%0.75976%0.756SS**  trans59.8142.8158.1-69.714.1000122.7
1661E25.9Very low28.3Very low170 Ų170136.5 Ų136.579%0.79475%0.751SS**  trans79.4158.5142.4-80.7172.5-149.600123.1
1662V30.9Very low28.2Very low119 Ų119140.2 Ų140.272%0.72175%0.752SS**  trans61.199.9173.4-136.40000115.2
1663I27.7Very low28.3Very low146 Ų146138.2 Ų138.275%0.74975%0.751SS**  56.7123.271.5-55.9171.7000109.6
1664N28.4Very low28.5Very low116 Ų116140.9 Ų140.962%0.6275%0.751SS**  cis-154.2145.631-143.7-19000112.7
1665T25.8Very low28.5Very low126 Ų126139 Ų13977%0.77375%0.753SS**  trans-125.194.9152.552.60000107.8I1667T1665-I1667 VanDerWaalsContact C-N 3.33Å; T1665-I1667 PolarHBondContact O-N 3.49Å
1666N28Very low28.3Very low134 Ų134141.8 Ų141.872%0.71776%0.758SS**  trans-81.380.7-170.7-139.65.9000110.9
1667I27.6Very low28.1Very low142 Ų142142.1 Ų142.173%0.72875%0.754SS**  trans-64.5135.4159-63.6170000107.3T1665T1665-I1667 VanDerWaalsContact C-N 3.33Å; T1665-I1667 PolarHBondContact O-N 3.49Å
1668N27.9Very low28.2Very low134 Ų134141.3 Ų141.372%0.71776%0.755SS**  trans-156.9117.9147.9-111.1-37.2000113.1
1669S25.9Very low28.1Very low120 Ų120140 Ų14084%0.83975%0.745SS**  trans-169.690.2162.4-82.90000109.7
1670T29.2Very low27.8Very low136 Ų136142.3 Ų142.383%0.83475%0.75SS**  trans-139.2140.6167.146.10000109.1
1671A29.9Very low27.8Very low86 Ų86138.6 Ų138.671%0.71175%0.745SS**  trans-93.6162.4-175.500000112.5
1672Y26.9Very low27.9Very low203 Ų203138.4 Ų138.480%0.79675%0.747SS**  -175.7156.8122.4-105.5-72.2000112.1
1673H31.1Very low27.9Very low155 Ų155139.3 Ų139.372%0.71874%0.743SS**  trans69.1130.8160.7-88.5-54.1000123
1674R29.9Very low28Very low198 Ų198140.3 Ų140.375%0.74774%0.737SS**  trans65.2122.7136.8-78.2-161.4162.6132.5-1.9122.1
1675D28.2Very low28.1Very low136 Ų136140.5 Ų140.573%0.72773%0.733SS**  51.9123.9109-43.3-11.6000119.2
1676E24.1Very low28.9Very low173 Ų173138.9 Ų138.981%0.80872%0.724SS**  trans-43.8153.7170.5-64.1179.6142.800117.3
1677L25.8Very low29Very low140 Ų140139.8 Ų139.873%0.73372%0.724SS**  trans65.193.6145.6-66.7162.9000119.2
1678T28.4Very low29.1Very low138 Ų138138.8 Ų138.885%0.84772%0.72SS**  -107119.7117.453.10000107.5
1679M29Very low29.4Very low133 Ų133139.9 Ų139.966%0.65572%0.721SS**  57.4110.564.9-72.4-73.2-76.500113.5
1680N25.1Very low29.6Very low141 Ų141142.1 Ų142.175%0.75472%0.718SS**  32131.3122.3-56.8-5.7000119.1
1681G28.2Very low29.6Very low64 Ų64142.4 Ų142.466%0.6672%0.715SS**  trans143.166.4-178.100000107.5
1682M27.1Very low30.4Very low167 Ų167143.3 Ų143.382%0.82371%0.713SS**  63.8139.285.9-61.4174.5158.400110.6
1683E31.1Very low30.4Very low137 Ų137140.3 Ų140.364%0.6471%0.71SS**  -176157.675.4-100.5-161.1176.600113.4F1685E1683-F1685 HydrophobicContact CG-CE2 4.27Å
1684R31.6Very low30.3Very low168 Ų168140 Ų14063%0.63471%0.712SS**SBendtrans131.226.2152.2-6-144.1-179.8-145.1-9.4118.4
1685F30.2Very low30.1Very low120 Ų120136 Ų13653%0.52671%0.709SS.*  82.7171.1111.4-81.7-140.1000116.8E1683E1683-F1685 HydrophobicContact CG-CE2 4.27Å
1686P41.4Very low30Very low91 Ų91137.7 Ų137.759%0.59172%0.715SS**  cis-140.3-178.6-41.340.3-23.4000114.8
1687E30.1Very low30.3Very low153 Ų153136 Ų13672%0.71571%0.711SS**  trans37.8141.3135.6-66146.5-140.200121.2
1688N31.2Very low30.7Very low121 Ų121136.8 Ų136.865%0.64772%0.715SS**  cis-160168.720.7-122.45000115.3
1689E32.6Very low30.6Very low158 Ų158137.3 Ų137.374%0.73871%0.713SS**  trans68.7122.9146.6-73.1160.1-141.900125.1
1690E30.7Very low31.3Very low166 Ų166136.1 Ų136.178%0.77672%0.715SS**  trans30.7119.3140.5-51.5-168.4160.800123.7
1691N30Very low31.6Very low143 Ų143137.7 Ų137.777%0.76572%0.721SS**  -178.4164.3101.1-101.8-81.7000113.7
1692P46.1Very low31.6Very low104 Ų104138.7 Ų138.768%0.67572%0.718SS**  trans-110.6-160.7177.633.9-16.9000113.6
1693I25.9Very low31.8Very low141 Ų141137.1 Ų137.172%0.72371%0.714SS**  trans103.5138.4161.3-58.5168.4000117.8
1694I30.3Very low31.8Very low148 Ų148137 Ų13776%0.75972%0.717SS**  trans66122.4167.1-76.2161.8000116.7
1695V24.6Very low31.9Very low115 Ų115133 Ų13370%0.69772%0.715SS**  cis93.4138.313.3-166.30000115.8
1696M26.5Very low32.2Very low171 Ų171134.7 Ų134.784%0.84272%0.724SS**  trans72.1148-177.8-35.7-167.4-167.700113.6
1697D31.2Very low31.9Very low138 Ų138140.5 Ų140.574%0.73873%0.734SS**  cis-125.7165.814.2-83.2-31.7000111.4
1698L34.1Very low32Very low155 Ų155142.5 Ų142.581%0.81274%0.741SS**  cis-151.9177.5-7.6-119.8166.8000111.1
1699N25.8Very low32Very low149 Ų149140.2 Ų140.280%0.79775%0.745SS**  trans-94.6166-164.1-100.3-35.1000116.4
1700P44.5Very low32.1Very low108 Ų108139.8 Ų139.870%0.70175%0.748SS**  trans-88.4179.7177.838.3-37.1000113.6
1701I30.6Very low32.2Very low174 Ų174136.3 Ų136.389%0.89274%0.742SS**  trans-116.7155.1167.3-66.9-179.3000110
1702S28.6Very low32.3Very low85 Ų85135.2 Ų135.259%0.59474%0.741SS**  trans-144.7177.6-161.6570000112.6
1703N30.1Very low31.7Very low135 Ų135138.5 Ų138.572%0.72274%0.744SS**  trans71.3160.1156.6-63.8-18.5000116.1
1704N32.2Very low31.9Very low135 Ų135136.9 Ų136.972%0.72274%0.737SS**  cis-161169.9-6.4-113.7-6.8000106.7
1705S33.2Very low32Very low82 Ų82139.4 Ų139.457%0.57374%0.739SS**  cis176.2161.5-20.256.70000106.8
1706H36.3Very low32.2Very low157 Ų157140.8 Ų140.873%0.72774%0.742SS**  trans179.9127.6144.7-106.443.8000115.9
1707R34.7Very low32.4Very low212 Ų212138.9 Ų138.980%0.874%0.74SS**  trans57.1145.1149.7-66.2-178.6169.7179.3-2.6118.9
1708K33.5Very low33Very low196 Ų196137.5 Ų137.585%0.85274%0.739SS**  cis-164.5143.75.6-130.1-177.7177.5-170.40109.3
1709G31.3Very low32.7Very low72 Ų72140.2 Ų140.274%0.74274%0.74SS**  trans142.4142.7162.300000117.4
1710N34.7Very low32.7Very low149 Ų149139.7 Ų139.780%0.79774%0.736SS**  trans-125.9158.3-169-60.451.6000110.4
1711S32.7Very low31.9Very low94 Ų94142.4 Ų142.466%0.65774%0.739SS**  cis80.8139.120.694.50000115.6
1712T32.1Very low31.7Very low120 Ų120143.5 Ų143.574%0.73674%0.74SS**  cis-167.3161.6-3.81.90000110.8
1713K32.2Very low31.8Very low172 Ų172146.7 Ų146.775%0.74875%0.745SS**  trans69.5156.8162.2-71.3175.9150.7-85.20117.1
1714D30.7Very low31.9Very low107 Ų107146 Ų14657%0.57274%0.741SS**  cis-157.9174.5-10.3-98.4-25.7000109.2
1715Y32.8Very low32.1Very low201 Ų201145.1 Ų145.179%0.78874%0.741SS**  trans88.3108.4164.8-66.6-78.5000122.8
1716D29.4Very low32.1Very low145 Ų145148 Ų14878%0.77575%0.751SS**  trans60.9149.5133.2-61.8-13.1000125.7
1717T30.8Very low32Very low130 Ų130147.5 Ų147.580%0.79875%0.752SS**  trans-61.9164.7-178.740.30000116.8
1718P42.9Very low31.9Very low110 Ų110141.4 Ų141.471%0.71474%0.741SS**  cis-133.7-164.12.235-13.4000114.8
1719Y26.9Very low32Very low211 Ų211138.4 Ų138.483%0.82774%0.735SS**  trans87.1128.6160.9-97.3-117.5000120.4
1720I26.5Very low32.1Very low138 Ų138141 Ų14171%0.70873%0.731SS**  trans76.5124.5151.9-72.1173.3000120.2
1721H28Very low32.1Very low165 Ų165143.2 Ų143.276%0.76473%0.73SS**  trans36123.4159.5-69.7-54.3000121.4
1722Q26.2Very low32Very low197 Ų197144.5 Ų144.592%0.92173%0.734SS**  -154.5133.9112.8-113.516619.200114.7
1723H30.4Very low32Very low152 Ų152142.7 Ų142.770%0.70473%0.73SS**  trans-71.2162.3147-83.2-94.3000108.5
1724D31.7Very low31.9Very low120 Ų120139.8 Ų139.864%0.64273%0.732SS**  cis-169.7156.5-15.4-120.6-20.1000107.1
1725T36.4Very low32Very low118 Ų118141.7 Ų141.772%0.72475%0.748SS**  trans56.7144.715359.60000119.5
1726D33.5Very low31.8Very low143 Ų143135.4 Ų135.477%0.76574%0.744SS**  cis-158.2-165.7-7.4-123.4-46.1000105.8
1727I34.6Very low32.4Very low146 Ų146134 Ų13475%0.74974%0.743SS**  cis-149.8-161.315.3-155.5150.1000111.1
1728S33.2Very low32.7Very low83 Ų83132.8 Ų132.858%0.5874%0.74SS**  trans-42.1156.6170.160.90000117.3
1729D34.3Very low32.2Very low134 Ų134136.2 Ų136.272%0.71774%0.74SS**  cis-155.2174.824-138.1-30.7000115.8
1730N34.2Very low32.5Very low126 Ų126131 Ų13167%0.67473%0.726SS**  trans-43.8160.6173.9-70.7-66.2000116.5
1731Y33.7Very low32.9Very low196 Ų196130.2 Ų130.277%0.76972%0.72SS**  cis-165.2156.919.1-134.1-154.6000113.4
1732V31.9Very low33.1Very low121 Ų121131.9 Ų131.973%0.73372%0.719SS**  trans33.4136.3134.6-179.40000119.9
1733A30.8Very low33.4Very low81 Ų81132.2 Ų132.267%0.66971%0.712SS**  cis-155.9161.912.900000109.2
1734S30.7Very low33.5Very low111 Ų111135.3 Ų135.378%0.77672%0.717SS**  cis10894.71488.30000117.1
1735T33.9Very low33.5Very low147 Ų147134.4 Ų134.490%0.90272%0.72SS**  trans-138.6147.1150.745.60000106.5
1736G28.1Very low33Very low69 Ų69135.3 Ų135.371%0.71173%0.726SS**  cis113.4151.416.300000109.8
1737P42.7Very low32.8Very low117 Ų117135.5 Ų135.576%0.7673%0.726SS**  cis-120.2-1583.344.8-29.3000110.5
1738S35.5Very low32.5Very low104 Ų104140 Ų14073%0.72773%0.733SS**  cis-153.2171.5-3.1980000107.8
1739Y33.5Very low32.4Very low181 Ų181140.8 Ų140.871%0.7174%0.739SS**  cis-171.3155.6-31.3-107.9-162.7000105.3
1740N33.4Very low32Very low103 Ų103142.2 Ų142.255%0.55175%0.745SS**  cis-147.2143.86.9-140.1-6000115.3
1741Q34.4Very low31.6Very low121 Ų121145.2 Ų145.257%0.56575%0.753SS**  trans47.6119.6141.5-80.9165.927.300124.8
1742R32.3Very low31.5Very low200 Ų200144.6 Ų144.676%0.75575%0.754SS**  72.696.4127.3-69174.3-178.4-177.80.3117.4
1743R32.6Very low31.2Very low204 Ų204150.4 Ų150.477%0.7776%0.763SS**  86.8114.283-83.2-174.3-178.8-159.8-0.1110.9
1744R32.9Very low31Very low216 Ų216159 Ų15982%0.81579%0.79SS**  69.4111.571.4-70.7-172.6-177.9177.91.2110.8
1745S30.1Very low31Very low101 Ų101161.5 Ų161.571%0.70679%0.79SS**  cis83.6133.54778.50000113.8
1746T26.9Very low30.9Very low137 Ų137162.2 Ų162.284%0.8478%0.784SS**  trans-114.5172.1166-42.80000107.9
1747I29.2Very low31Very low148 Ų148167.4 Ų167.476%0.75979%0.788SS**  trans73.8114.4-161.6-49.9167.1000108.5
1748R29.1Very low30.3Very low239 Ų239170.4 Ų170.490%0.90279%0.79SS**  cis-126.1172.418-104149.2-168.7164.61.6110.3
1749S29.7Very low30Very low101 Ų101174.5 Ų174.571%0.70679%0.794SS**  cis-148.9174.65.146.60000111.4F1751S1749-F1751 PolarHBondContact O-N 3.41Å
1750L25.8Very low29.8Very low163 Ų163174.1 Ų174.185%0.85380%0.8SS**  trans-45.5131.7155.1-69.6158.4000112.1
1751F27Very low29.5Very low189 Ų189179.1 Ų179.183%0.82982%0.817SS**  -156.9130123-110-73.4000109.2S1749S1749-F1751 PolarHBondContact O-N 3.41Å
1752K30Very low29.2Very low184 Ų184183.6 Ų183.680%0.884%0.837SS**SBendtrans35.8107.9164-69.6175177.1177.40119.2
1753R26.6Very low28.9Very low243 Ų243182.3 Ų182.392%0.91784%0.844SS**  trans68.7134.4161.7-60.6175.9171.7163.6-4.4115.5
1754E26.8Very low28.6Very low262 Ų262180.3 Ų180.3100%1.22485%0.85SS**  cis-73.30-6.6-64.7177.8129.700111.6

Retrieved 1,754 of 1,754 residues in 206.9 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).